Product Name

  • Name

    Ethylene brassylate

  • EINECS 203-347-8
  • CAS No. 105-95-3
  • Article Data3
  • CAS DataBase
  • Density 0.977 g/cm3
  • Solubility 14.8mg/L at 20℃
  • Melting Point -8 °C
  • Formula C15H26O4
  • Boiling Point 476.1 °C at 760 mmHg
  • Molecular Weight 270.369
  • Flash Point 243.9 °C
  • Transport Information
  • Appearance colorless transparent liquid
  • Safety 26-36
  • Risk Codes 38
  • Molecular Structure Molecular Structure of 105-95-3 (Ethylene brassylate)
  • Hazard Symbols IrritantXi
  • Synonyms Cyclic ethylenetridecanedioate;Emeressence 1150;1,4-Dioxacycloheptadecane-5,17-dione;Musk T;NSC 46155;Tridecanedioicacid, cyclic ethylene ester (7CI,8CI);Ethylene glycol, cyclic tridecanedioate(8CI);Astratone;Cyclic ethylene glycol tridecanedioate;
  • PSA 52.60000
  • LogP 3.37750

Synthetic route

brassylic acid
505-52-2

brassylic acid

1,4-dioxa-cycloheptadecane-5,17-dione
105-95-3

1,4-dioxa-cycloheptadecane-5,17-dione

Conditions
ConditionsYield
With ethylene glycol at 200℃; under 2 Torr; Erhitzen des Reaktionsprodukts mit wenig Zinn(II)-chlorid-dihydrat unter 1 Torr auf 270grad;
brassylic acid
505-52-2

brassylic acid

ethylene glycol
107-21-1

ethylene glycol

1,4-dioxa-cycloheptadecane-5,17-dione
105-95-3

1,4-dioxa-cycloheptadecane-5,17-dione

Conditions
ConditionsYield
With toluene-4-sulfonic acid In benzene for 10h;189 mg
1,4-dioxa-cycloheptadecane-5,17-dione
105-95-3

1,4-dioxa-cycloheptadecane-5,17-dione

1,13-tridecanediol
13362-52-2

1,13-tridecanediol

Conditions
ConditionsYield
With lithium aluminium tetrahydride In diethyl ether for 3.5h; Ambient temperature;98%
With lithium aluminium tetrahydride In tetrahydrofuran; diethyl ether at 0 - 20℃; Reflux;76%
With lithium aluminium tetrahydride In diethyl ether Reflux;
1,4-dioxa-cycloheptadecane-5,17-dione
105-95-3

1,4-dioxa-cycloheptadecane-5,17-dione

poly[-CO(CH2)11CO(CH2)2O-]

poly[-CO(CH2)11CO(CH2)2O-]

Conditions
ConditionsYield
Candida antarctica lipase at 75℃; for 24h; Polymerization; ring cleavage;
1,4-dioxa-cycloheptadecane-5,17-dione
105-95-3

1,4-dioxa-cycloheptadecane-5,17-dione

13-bromo-1-tridecylalcohol
116754-58-6

13-bromo-1-tridecylalcohol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 98 percent / LiAlH4 / diethyl ether / 3.5 h / Ambient temperature
2: 72 percent / 48percent HBr / benzene / 36 h / Heating
View Scheme
Multi-step reaction with 2 steps
1: lithium aluminium tetrahydride / tetrahydrofuran; diethyl ether / 0 - 20 °C / Reflux
2: hydrogen bromide / water; toluene / 22 h / Dean-Stark; Reflux
View Scheme
1,4-dioxa-cycloheptadecane-5,17-dione
105-95-3

1,4-dioxa-cycloheptadecane-5,17-dione

(Z)-14-tricosen-1-ol
50995-26-1

(Z)-14-tricosen-1-ol

Conditions
ConditionsYield
Multi-step reaction with 7 steps
1: 98 percent / LiAlH4 / diethyl ether / 3.5 h / Ambient temperature
2: 72 percent / 48percent HBr / benzene / 36 h / Heating
3: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
4: 91 percent / xylene; tetrahydrofuran; hexamethylphosphoric acid triamide / 36 h / Ambient temperature
5: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
6: 93 percent / p-toluenesulfonic acid monohydrate / methanol / 2 h / Ambient temperature
7: H2, quinoline / Lindlar palladium catalyst / hexane / 20.5 h / Ambient temperature
View Scheme
1,4-dioxa-cycloheptadecane-5,17-dione
105-95-3

1,4-dioxa-cycloheptadecane-5,17-dione

heptadec-16-yn-1-ol
62873-30-7

heptadec-16-yn-1-ol

Conditions
ConditionsYield
Multi-step reaction with 7 steps
1: 98 percent / LiAlH4 / diethyl ether / 3.5 h / Ambient temperature
2: 72 percent / 48percent HBr / benzene / 36 h / Heating
3: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
4: 91 percent / xylene; tetrahydrofuran; hexamethylphosphoric acid triamide / 36 h / Ambient temperature
5: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
6: 99 percent / p-toluenesulfonic acid monohydrate / methanol / 2 h / Ambient temperature
7: 92 percent / 1,3-propanediamine, Li, potassium tert-butoxide / 2 h / Ambient temperature
View Scheme
1,4-dioxa-cycloheptadecane-5,17-dione
105-95-3

1,4-dioxa-cycloheptadecane-5,17-dione

2-((13-bromotridecyl)oxy)tetrahydro-2H-pyran
116452-12-1

2-((13-bromotridecyl)oxy)tetrahydro-2H-pyran

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 98 percent / LiAlH4 / diethyl ether / 3.5 h / Ambient temperature
2: 72 percent / 48percent HBr / benzene / 36 h / Heating
3: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
View Scheme
Multi-step reaction with 3 steps
1: lithium aluminium tetrahydride / diethyl ether / Reflux
2: hydrogen bromide / toluene / Reflux; Dean-Stark
3: pyridinium p-toluenesulfonate / dichloromethane / 20 °C
View Scheme
Multi-step reaction with 3 steps
1: lithium aluminium tetrahydride / tetrahydrofuran; diethyl ether / 0 - 20 °C / Reflux
2: hydrogen bromide / water; toluene / 22 h / Dean-Stark; Reflux
3: pyridinium p-toluenesulfonate / dichloromethane / 18 h / 20 °C
View Scheme
1,4-dioxa-cycloheptadecane-5,17-dione
105-95-3

1,4-dioxa-cycloheptadecane-5,17-dione

14-heptadecyn-1-ol
159627-68-6

14-heptadecyn-1-ol

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: 98 percent / LiAlH4 / diethyl ether / 3.5 h / Ambient temperature
2: 72 percent / 48percent HBr / benzene / 36 h / Heating
3: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
4: 91 percent / xylene; tetrahydrofuran; hexamethylphosphoric acid triamide / 36 h / Ambient temperature
5: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
6: 99 percent / p-toluenesulfonic acid monohydrate / methanol / 2 h / Ambient temperature
View Scheme
1,4-dioxa-cycloheptadecane-5,17-dione
105-95-3

1,4-dioxa-cycloheptadecane-5,17-dione

14-tricosyn-1-ol
159627-64-2

14-tricosyn-1-ol

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: 98 percent / LiAlH4 / diethyl ether / 3.5 h / Ambient temperature
2: 72 percent / 48percent HBr / benzene / 36 h / Heating
3: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
4: 91 percent / xylene; tetrahydrofuran; hexamethylphosphoric acid triamide / 36 h / Ambient temperature
5: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
6: 93 percent / p-toluenesulfonic acid monohydrate / methanol / 2 h / Ambient temperature
View Scheme
1,4-dioxa-cycloheptadecane-5,17-dione
105-95-3

1,4-dioxa-cycloheptadecane-5,17-dione

(Z)-14-tricosenyl bromide
159627-66-4

(Z)-14-tricosenyl bromide

Conditions
ConditionsYield
Multi-step reaction with 9 steps
1: 98 percent / LiAlH4 / diethyl ether / 3.5 h / Ambient temperature
2: 72 percent / 48percent HBr / benzene / 36 h / Heating
3: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
4: 91 percent / xylene; tetrahydrofuran; hexamethylphosphoric acid triamide / 36 h / Ambient temperature
5: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
6: 93 percent / p-toluenesulfonic acid monohydrate / methanol / 2 h / Ambient temperature
7: H2, quinoline / Lindlar palladium catalyst / hexane / 20.5 h / Ambient temperature
8: 98 percent / triethylamine, (4-dimethylamino)pyridine / CH2Cl2 / 6 h / Ambient temperature
9: 97 percent / LiBr, NaHCO3 / acetone / 15 h / Ambient temperature
View Scheme
1,4-dioxa-cycloheptadecane-5,17-dione
105-95-3

1,4-dioxa-cycloheptadecane-5,17-dione

1-tetrahydropyranyloxy-14-pentadecyne
159627-62-0

1-tetrahydropyranyloxy-14-pentadecyne

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 98 percent / LiAlH4 / diethyl ether / 3.5 h / Ambient temperature
2: 72 percent / 48percent HBr / benzene / 36 h / Heating
3: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
4: 91 percent / xylene; tetrahydrofuran; hexamethylphosphoric acid triamide / 36 h / Ambient temperature
View Scheme
1,4-dioxa-cycloheptadecane-5,17-dione
105-95-3

1,4-dioxa-cycloheptadecane-5,17-dione

16-tetracosyn-1-ol
159627-71-1

16-tetracosyn-1-ol

Conditions
ConditionsYield
Multi-step reaction with 10 steps
1: 98 percent / LiAlH4 / diethyl ether / 3.5 h / Ambient temperature
2: 72 percent / 48percent HBr / benzene / 36 h / Heating
3: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
4: 91 percent / xylene; tetrahydrofuran; hexamethylphosphoric acid triamide / 36 h / Ambient temperature
5: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
6: 99 percent / p-toluenesulfonic acid monohydrate / methanol / 2 h / Ambient temperature
7: 92 percent / 1,3-propanediamine, Li, potassium tert-butoxide / 2 h / Ambient temperature
8: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
9: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
10: 94 percent / p-toluenesulfonic acid monohydrate / methanol / 2 h / Ambient temperature
View Scheme
1,4-dioxa-cycloheptadecane-5,17-dione
105-95-3

1,4-dioxa-cycloheptadecane-5,17-dione

(Z)-16-tetracosen-1-ol
159627-72-2

(Z)-16-tetracosen-1-ol

Conditions
ConditionsYield
Multi-step reaction with 11 steps
1: 98 percent / LiAlH4 / diethyl ether / 3.5 h / Ambient temperature
2: 72 percent / 48percent HBr / benzene / 36 h / Heating
3: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
4: 91 percent / xylene; tetrahydrofuran; hexamethylphosphoric acid triamide / 36 h / Ambient temperature
5: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
6: 99 percent / p-toluenesulfonic acid monohydrate / methanol / 2 h / Ambient temperature
7: 92 percent / 1,3-propanediamine, Li, potassium tert-butoxide / 2 h / Ambient temperature
8: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
9: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
10: 94 percent / p-toluenesulfonic acid monohydrate / methanol / 2 h / Ambient temperature
11: 93 percent / H2, quinoline / Lindlar palladium catalyst / hexane / 20.5 h / Ambient temperature
View Scheme
1,4-dioxa-cycloheptadecane-5,17-dione
105-95-3

1,4-dioxa-cycloheptadecane-5,17-dione

(Z)-16-tetracosenyl bromide
159627-74-4

(Z)-16-tetracosenyl bromide

Conditions
ConditionsYield
Multi-step reaction with 13 steps
1: 98 percent / LiAlH4 / diethyl ether / 3.5 h / Ambient temperature
2: 72 percent / 48percent HBr / benzene / 36 h / Heating
3: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
4: 91 percent / xylene; tetrahydrofuran; hexamethylphosphoric acid triamide / 36 h / Ambient temperature
5: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
6: 99 percent / p-toluenesulfonic acid monohydrate / methanol / 2 h / Ambient temperature
7: 92 percent / 1,3-propanediamine, Li, potassium tert-butoxide / 2 h / Ambient temperature
8: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
9: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
10: 94 percent / p-toluenesulfonic acid monohydrate / methanol / 2 h / Ambient temperature
11: 93 percent / H2, quinoline / Lindlar palladium catalyst / hexane / 20.5 h / Ambient temperature
12: 95 percent / Et3N, DMAP / CH2Cl2 / 6 h / Ambient temperature
13: 97 percent / LiBr, NaHCO3 / acetone / 15 h / Ambient temperature
View Scheme
1,4-dioxa-cycloheptadecane-5,17-dione
105-95-3

1,4-dioxa-cycloheptadecane-5,17-dione

2-(heptadec-16-yn-1-yloxy)tetrahydro-2H-pyran
159627-69-7

2-(heptadec-16-yn-1-yloxy)tetrahydro-2H-pyran

Conditions
ConditionsYield
Multi-step reaction with 8 steps
1: 98 percent / LiAlH4 / diethyl ether / 3.5 h / Ambient temperature
2: 72 percent / 48percent HBr / benzene / 36 h / Heating
3: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
4: 91 percent / xylene; tetrahydrofuran; hexamethylphosphoric acid triamide / 36 h / Ambient temperature
5: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
6: 99 percent / p-toluenesulfonic acid monohydrate / methanol / 2 h / Ambient temperature
7: 92 percent / 1,3-propanediamine, Li, potassium tert-butoxide / 2 h / Ambient temperature
8: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
View Scheme
1,4-dioxa-cycloheptadecane-5,17-dione
105-95-3

1,4-dioxa-cycloheptadecane-5,17-dione

1-tetrahydropyranyloxy-14-heptadecyne
159627-67-5

1-tetrahydropyranyloxy-14-heptadecyne

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 98 percent / LiAlH4 / diethyl ether / 3.5 h / Ambient temperature
2: 72 percent / 48percent HBr / benzene / 36 h / Heating
3: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
4: 91 percent / xylene; tetrahydrofuran; hexamethylphosphoric acid triamide / 36 h / Ambient temperature
5: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
View Scheme
1,4-dioxa-cycloheptadecane-5,17-dione
105-95-3

1,4-dioxa-cycloheptadecane-5,17-dione

(2S,3R,18Z)-2,3-epoxy-18-heptacosen-1-ol
159627-82-4

(2S,3R,18Z)-2,3-epoxy-18-heptacosen-1-ol

Conditions
ConditionsYield
Multi-step reaction with 11 steps
1: 98 percent / LiAlH4 / diethyl ether / 3.5 h / Ambient temperature
2: 72 percent / 48percent HBr / benzene / 36 h / Heating
3: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
4: 91 percent / xylene; tetrahydrofuran; hexamethylphosphoric acid triamide / 36 h / Ambient temperature
5: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
6: 93 percent / p-toluenesulfonic acid monohydrate / methanol / 2 h / Ambient temperature
7: H2, quinoline / Lindlar palladium catalyst / hexane / 20.5 h / Ambient temperature
8: 98 percent / triethylamine, (4-dimethylamino)pyridine / CH2Cl2 / 6 h / Ambient temperature
9: 97 percent / LiBr, NaHCO3 / acetone / 15 h / Ambient temperature
10: 1.) Mg, 2.) CuI / 1.) ether, r.t., 2 h, 2.) ether, HMPA, r.t., 18 h
11: 95 percent / 1M tetrabutylammonium fluoride / tetrahydrofuran / 0.75 h / 0 °C
View Scheme
1,4-dioxa-cycloheptadecane-5,17-dione
105-95-3

1,4-dioxa-cycloheptadecane-5,17-dione

(2S,3R,20Z)-2,3-epoxy-20-octacosen-1-ol
159627-77-7

(2S,3R,20Z)-2,3-epoxy-20-octacosen-1-ol

Conditions
ConditionsYield
Multi-step reaction with 15 steps
1: 98 percent / LiAlH4 / diethyl ether / 3.5 h / Ambient temperature
2: 72 percent / 48percent HBr / benzene / 36 h / Heating
3: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
4: 91 percent / xylene; tetrahydrofuran; hexamethylphosphoric acid triamide / 36 h / Ambient temperature
5: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
6: 99 percent / p-toluenesulfonic acid monohydrate / methanol / 2 h / Ambient temperature
7: 92 percent / 1,3-propanediamine, Li, potassium tert-butoxide / 2 h / Ambient temperature
8: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
9: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
10: 94 percent / p-toluenesulfonic acid monohydrate / methanol / 2 h / Ambient temperature
11: 93 percent / H2, quinoline / Lindlar palladium catalyst / hexane / 20.5 h / Ambient temperature
12: 95 percent / Et3N, DMAP / CH2Cl2 / 6 h / Ambient temperature
13: 97 percent / LiBr, NaHCO3 / acetone / 15 h / Ambient temperature
14: 1.) Mg, 2.) CuI / 1.) ether, r.t., 2 h, 2.) ether, HMPA, r.t., 18 h
15: 94 percent / 1M tetrabutylammonium fluoride / tetrahydrofuran / 0.75 h / 0 °C
View Scheme
1,4-dioxa-cycloheptadecane-5,17-dione
105-95-3

1,4-dioxa-cycloheptadecane-5,17-dione

1-tetrahydropyranyloxy-14-tricosyne
159627-63-1

1-tetrahydropyranyloxy-14-tricosyne

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 98 percent / LiAlH4 / diethyl ether / 3.5 h / Ambient temperature
2: 72 percent / 48percent HBr / benzene / 36 h / Heating
3: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
4: 91 percent / xylene; tetrahydrofuran; hexamethylphosphoric acid triamide / 36 h / Ambient temperature
5: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
View Scheme
1,4-dioxa-cycloheptadecane-5,17-dione
105-95-3

1,4-dioxa-cycloheptadecane-5,17-dione

1-tetrahydropyranyloxy-16-tetracosyne
159627-70-0

1-tetrahydropyranyloxy-16-tetracosyne

Conditions
ConditionsYield
Multi-step reaction with 9 steps
1: 98 percent / LiAlH4 / diethyl ether / 3.5 h / Ambient temperature
2: 72 percent / 48percent HBr / benzene / 36 h / Heating
3: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
4: 91 percent / xylene; tetrahydrofuran; hexamethylphosphoric acid triamide / 36 h / Ambient temperature
5: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
6: 99 percent / p-toluenesulfonic acid monohydrate / methanol / 2 h / Ambient temperature
7: 92 percent / 1,3-propanediamine, Li, potassium tert-butoxide / 2 h / Ambient temperature
8: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
9: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
View Scheme
1,4-dioxa-cycloheptadecane-5,17-dione
105-95-3

1,4-dioxa-cycloheptadecane-5,17-dione

(Z)-14-tricosenyl tosylate
159627-65-3

(Z)-14-tricosenyl tosylate

Conditions
ConditionsYield
Multi-step reaction with 8 steps
1: 98 percent / LiAlH4 / diethyl ether / 3.5 h / Ambient temperature
2: 72 percent / 48percent HBr / benzene / 36 h / Heating
3: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
4: 91 percent / xylene; tetrahydrofuran; hexamethylphosphoric acid triamide / 36 h / Ambient temperature
5: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
6: 93 percent / p-toluenesulfonic acid monohydrate / methanol / 2 h / Ambient temperature
7: H2, quinoline / Lindlar palladium catalyst / hexane / 20.5 h / Ambient temperature
8: 98 percent / triethylamine, (4-dimethylamino)pyridine / CH2Cl2 / 6 h / Ambient temperature
View Scheme
1,4-dioxa-cycloheptadecane-5,17-dione
105-95-3

1,4-dioxa-cycloheptadecane-5,17-dione

(Z)-16-tetracosenyl tosylate
159627-73-3

(Z)-16-tetracosenyl tosylate

Conditions
ConditionsYield
Multi-step reaction with 12 steps
1: 98 percent / LiAlH4 / diethyl ether / 3.5 h / Ambient temperature
2: 72 percent / 48percent HBr / benzene / 36 h / Heating
3: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
4: 91 percent / xylene; tetrahydrofuran; hexamethylphosphoric acid triamide / 36 h / Ambient temperature
5: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
6: 99 percent / p-toluenesulfonic acid monohydrate / methanol / 2 h / Ambient temperature
7: 92 percent / 1,3-propanediamine, Li, potassium tert-butoxide / 2 h / Ambient temperature
8: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
9: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
10: 94 percent / p-toluenesulfonic acid monohydrate / methanol / 2 h / Ambient temperature
11: 93 percent / H2, quinoline / Lindlar palladium catalyst / hexane / 20.5 h / Ambient temperature
12: 95 percent / Et3N, DMAP / CH2Cl2 / 6 h / Ambient temperature
View Scheme
1,4-dioxa-cycloheptadecane-5,17-dione
105-95-3

1,4-dioxa-cycloheptadecane-5,17-dione

(2S,3R,18Z)-2,3-epoxy-18-heptacosenyl tosylate

(2S,3R,18Z)-2,3-epoxy-18-heptacosenyl tosylate

Conditions
ConditionsYield
Multi-step reaction with 12 steps
1: 98 percent / LiAlH4 / diethyl ether / 3.5 h / Ambient temperature
2: 72 percent / 48percent HBr / benzene / 36 h / Heating
3: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
4: 91 percent / xylene; tetrahydrofuran; hexamethylphosphoric acid triamide / 36 h / Ambient temperature
5: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
6: 93 percent / p-toluenesulfonic acid monohydrate / methanol / 2 h / Ambient temperature
7: H2, quinoline / Lindlar palladium catalyst / hexane / 20.5 h / Ambient temperature
8: 98 percent / triethylamine, (4-dimethylamino)pyridine / CH2Cl2 / 6 h / Ambient temperature
9: 97 percent / LiBr, NaHCO3 / acetone / 15 h / Ambient temperature
10: 1.) Mg, 2.) CuI / 1.) ether, r.t., 2 h, 2.) ether, HMPA, r.t., 18 h
11: 95 percent / 1M tetrabutylammonium fluoride / tetrahydrofuran / 0.75 h / 0 °C
12: 99 percent / triethylamine, (4-dimethylamino)pyridine / CH2Cl2 / 1.5 h / Ambient temperature
View Scheme
1,4-dioxa-cycloheptadecane-5,17-dione
105-95-3

1,4-dioxa-cycloheptadecane-5,17-dione

(2S,3R,20Z)-2,3-epoxy-20-octacosenyl tosylate

(2S,3R,20Z)-2,3-epoxy-20-octacosenyl tosylate

Conditions
ConditionsYield
Multi-step reaction with 16 steps
1: 98 percent / LiAlH4 / diethyl ether / 3.5 h / Ambient temperature
2: 72 percent / 48percent HBr / benzene / 36 h / Heating
3: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
4: 91 percent / xylene; tetrahydrofuran; hexamethylphosphoric acid triamide / 36 h / Ambient temperature
5: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
6: 99 percent / p-toluenesulfonic acid monohydrate / methanol / 2 h / Ambient temperature
7: 92 percent / 1,3-propanediamine, Li, potassium tert-butoxide / 2 h / Ambient temperature
8: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
9: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
10: 94 percent / p-toluenesulfonic acid monohydrate / methanol / 2 h / Ambient temperature
11: 93 percent / H2, quinoline / Lindlar palladium catalyst / hexane / 20.5 h / Ambient temperature
12: 95 percent / Et3N, DMAP / CH2Cl2 / 6 h / Ambient temperature
13: 97 percent / LiBr, NaHCO3 / acetone / 15 h / Ambient temperature
14: 1.) Mg, 2.) CuI / 1.) ether, r.t., 2 h, 2.) ether, HMPA, r.t., 18 h
15: 94 percent / 1M tetrabutylammonium fluoride / tetrahydrofuran / 0.75 h / 0 °C
16: 99 percent / triethylamine, (4-dimethylamino)pyridine / CH2Cl2 / 1.5 h / Ambient temperature
View Scheme
1,4-dioxa-cycloheptadecane-5,17-dione
105-95-3

1,4-dioxa-cycloheptadecane-5,17-dione

(2S,3R,18Z)-1-tert-butyldiphenylsilyloxy-2,3-epoxy-18-heptacosene
159627-81-3

(2S,3R,18Z)-1-tert-butyldiphenylsilyloxy-2,3-epoxy-18-heptacosene

Conditions
ConditionsYield
Multi-step reaction with 10 steps
1: 98 percent / LiAlH4 / diethyl ether / 3.5 h / Ambient temperature
2: 72 percent / 48percent HBr / benzene / 36 h / Heating
3: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
4: 91 percent / xylene; tetrahydrofuran; hexamethylphosphoric acid triamide / 36 h / Ambient temperature
5: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
6: 93 percent / p-toluenesulfonic acid monohydrate / methanol / 2 h / Ambient temperature
7: H2, quinoline / Lindlar palladium catalyst / hexane / 20.5 h / Ambient temperature
8: 98 percent / triethylamine, (4-dimethylamino)pyridine / CH2Cl2 / 6 h / Ambient temperature
9: 97 percent / LiBr, NaHCO3 / acetone / 15 h / Ambient temperature
10: 1.) Mg, 2.) CuI / 1.) ether, r.t., 2 h, 2.) ether, HMPA, r.t., 18 h
View Scheme
1,4-dioxa-cycloheptadecane-5,17-dione
105-95-3

1,4-dioxa-cycloheptadecane-5,17-dione

(2S,3R,20Z)-1-tert-butyldiphenylsilyloxy-2,3-epoxy-20-octacosene
159627-76-6

(2S,3R,20Z)-1-tert-butyldiphenylsilyloxy-2,3-epoxy-20-octacosene

Conditions
ConditionsYield
Multi-step reaction with 14 steps
1: 98 percent / LiAlH4 / diethyl ether / 3.5 h / Ambient temperature
2: 72 percent / 48percent HBr / benzene / 36 h / Heating
3: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
4: 91 percent / xylene; tetrahydrofuran; hexamethylphosphoric acid triamide / 36 h / Ambient temperature
5: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
6: 99 percent / p-toluenesulfonic acid monohydrate / methanol / 2 h / Ambient temperature
7: 92 percent / 1,3-propanediamine, Li, potassium tert-butoxide / 2 h / Ambient temperature
8: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
9: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
10: 94 percent / p-toluenesulfonic acid monohydrate / methanol / 2 h / Ambient temperature
11: 93 percent / H2, quinoline / Lindlar palladium catalyst / hexane / 20.5 h / Ambient temperature
12: 95 percent / Et3N, DMAP / CH2Cl2 / 6 h / Ambient temperature
13: 97 percent / LiBr, NaHCO3 / acetone / 15 h / Ambient temperature
14: 1.) Mg, 2.) CuI / 1.) ether, r.t., 2 h, 2.) ether, HMPA, r.t., 18 h
View Scheme
1,4-dioxa-cycloheptadecane-5,17-dione
105-95-3

1,4-dioxa-cycloheptadecane-5,17-dione

(E)-14-tricosen-1-ol

(E)-14-tricosen-1-ol

Conditions
ConditionsYield
Multi-step reaction with 7 steps
1: 98 percent / LiAlH4 / diethyl ether / 3.5 h / Ambient temperature
2: 72 percent / 48percent HBr / benzene / 36 h / Heating
3: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
4: 91 percent / xylene; tetrahydrofuran; hexamethylphosphoric acid triamide / 36 h / Ambient temperature
5: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
6: 93 percent / p-toluenesulfonic acid monohydrate / methanol / 2 h / Ambient temperature
7: H2, quinoline / Lindlar palladium catalyst / hexane / 20.5 h / Ambient temperature
View Scheme
1,4-dioxa-cycloheptadecane-5,17-dione
105-95-3

1,4-dioxa-cycloheptadecane-5,17-dione

(9Z,25R,26S,43Z)-25,26-epoxy-9,43-henpentacontadiene

(9Z,25R,26S,43Z)-25,26-epoxy-9,43-henpentacontadiene

Conditions
ConditionsYield
Multi-step reaction with 14 steps
1: 98 percent / LiAlH4 / diethyl ether / 3.5 h / Ambient temperature
2: 72 percent / 48percent HBr / benzene / 36 h / Heating
3: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
4: 91 percent / xylene; tetrahydrofuran; hexamethylphosphoric acid triamide / 36 h / Ambient temperature
5: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
6: 99 percent / p-toluenesulfonic acid monohydrate / methanol / 2 h / Ambient temperature
7: 92 percent / 1,3-propanediamine, Li, potassium tert-butoxide / 2 h / Ambient temperature
8: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
9: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
10: 94 percent / p-toluenesulfonic acid monohydrate / methanol / 2 h / Ambient temperature
11: 93 percent / H2, quinoline / Lindlar palladium catalyst / hexane / 20.5 h / Ambient temperature
12: 95 percent / Et3N, DMAP / CH2Cl2 / 6 h / Ambient temperature
13: 97 percent / LiBr, NaHCO3 / acetone / 15 h / Ambient temperature
14: 1.) Mg, 2.) CuI / 1.) ether, r.t., 2.5 h, 2.) ether, HMPA, r.t., 6 h
View Scheme
Multi-step reaction with 13 steps
1: 98 percent / LiAlH4 / diethyl ether / 3.5 h / Ambient temperature
2: 72 percent / 48percent HBr / benzene / 36 h / Heating
3: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
4: 91 percent / xylene; tetrahydrofuran; hexamethylphosphoric acid triamide / 36 h / Ambient temperature
5: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
6: 93 percent / p-toluenesulfonic acid monohydrate / methanol / 2 h / Ambient temperature
7: H2, quinoline / Lindlar palladium catalyst / hexane / 20.5 h / Ambient temperature
8: 98 percent / triethylamine, (4-dimethylamino)pyridine / CH2Cl2 / 6 h / Ambient temperature
9: 97 percent / LiBr, NaHCO3 / acetone / 15 h / Ambient temperature
10: 1.) Mg, 2.) CuI / 1.) ether, r.t., 2 h, 2.) ether, HMPA, r.t., 18 h
11: 95 percent / 1M tetrabutylammonium fluoride / tetrahydrofuran / 0.75 h / 0 °C
12: 99 percent / triethylamine, (4-dimethylamino)pyridine / CH2Cl2 / 1.5 h / Ambient temperature
13: 1.) Mg, 2.) CuI / 1.) ether, r.t., 2.5 h, 2.) ether, HMPA, r.t., 6 h
View Scheme
1,4-dioxa-cycloheptadecane-5,17-dione
105-95-3

1,4-dioxa-cycloheptadecane-5,17-dione

(9Z,25S,26R,43Z)-25,26-epoxy-9,43-henpentacontadiene

(9Z,25S,26R,43Z)-25,26-epoxy-9,43-henpentacontadiene

Conditions
ConditionsYield
Multi-step reaction with 17 steps
1: 98 percent / LiAlH4 / diethyl ether / 3.5 h / Ambient temperature
2: 72 percent / 48percent HBr / benzene / 36 h / Heating
3: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
4: 91 percent / xylene; tetrahydrofuran; hexamethylphosphoric acid triamide / 36 h / Ambient temperature
5: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
6: 99 percent / p-toluenesulfonic acid monohydrate / methanol / 2 h / Ambient temperature
7: 92 percent / 1,3-propanediamine, Li, potassium tert-butoxide / 2 h / Ambient temperature
8: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
9: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
10: 94 percent / p-toluenesulfonic acid monohydrate / methanol / 2 h / Ambient temperature
11: 93 percent / H2, quinoline / Lindlar palladium catalyst / hexane / 20.5 h / Ambient temperature
12: 95 percent / Et3N, DMAP / CH2Cl2 / 6 h / Ambient temperature
13: 97 percent / LiBr, NaHCO3 / acetone / 15 h / Ambient temperature
14: 1.) Mg, 2.) CuI / 1.) ether, r.t., 2 h, 2.) ether, HMPA, r.t., 18 h
15: 94 percent / 1M tetrabutylammonium fluoride / tetrahydrofuran / 0.75 h / 0 °C
16: 99 percent / triethylamine, (4-dimethylamino)pyridine / CH2Cl2 / 1.5 h / Ambient temperature
17: 1.) Mg, 2.) CuI / 1.) ether, r.t., 2.5 h, 2.) ether, HMPA, r.t., 6 h
View Scheme
Multi-step reaction with 10 steps
1: 98 percent / LiAlH4 / diethyl ether / 3.5 h / Ambient temperature
2: 72 percent / 48percent HBr / benzene / 36 h / Heating
3: 98 percent / pyridinium p-toluenesulfonate / CH2Cl2 / 4 h / Ambient temperature
4: 91 percent / xylene; tetrahydrofuran; hexamethylphosphoric acid triamide / 36 h / Ambient temperature
5: 1.) 1.63N butyllithium / 1.) hexane, THF, -50 deg C, 30 min; 0 deg C, 30 min, 2.) hexane, THF, HMPA, -50 deg C, 30 min; 0 deg C, 2 h
6: 93 percent / p-toluenesulfonic acid monohydrate / methanol / 2 h / Ambient temperature
7: H2, quinoline / Lindlar palladium catalyst / hexane / 20.5 h / Ambient temperature
8: 98 percent / triethylamine, (4-dimethylamino)pyridine / CH2Cl2 / 6 h / Ambient temperature
9: 97 percent / LiBr, NaHCO3 / acetone / 15 h / Ambient temperature
10: 1.) Mg, 2.) CuI / 1.) ether, r.t., 2.5 h, 2.) ether, HMPA, r.t., 6 h
View Scheme

Ethylene brassylate Consensus Reports

Reported in EPA TSCA Inventory.

Ethylene brassylate Specification

The Ethylene undecane dicarboxylate is an organic compound with the formula C15H26O4. The IUPAC name of this chemical is 1,4-dioxacycloheptadecane-5,17-dione. With the CAS registry number 105-95-3, it is also named as 1,1'-Undecanedicarboxylic acid, ester with ethylene glycol. The product's categories are Flavor; Water treatment chemicals; Alphabetical Listings; E-F; Flavors and Fragrances. Besides, it is fragrance and effective deodorant protection for the soap, toilet water, detergent and so on.

Physical properties about Ethylene undecane dicarboxylate are: (1)ACD/LogP: 2.90; (2)ACD/LogD (pH 5.5): 2.9; (3)ACD/LogD (pH 7.4): 2.9; (4)ACD/BCF (pH 5.5): 93.49; (5)ACD/BCF (pH 7.4): 93.49; (6)ACD/KOC (pH 5.5): 895.93; (7)ACD/KOC (pH 7.4): 895.93; (8)#H bond acceptors: 4; (9)Polar Surface Area: 52.6 Å2; (10)Index of Refraction: 1.438; (11)Molar Refractivity: 72.64 cm3; (12)Molar Volume: 276.6 cm3; (13)Polarizability: 28.79×10-24cm3; (14)Surface Tension: 30.9 dyne/cm; (15)Density: 0.977 g/cm3; (16)Flash Point: 243.9 °C; (17)Enthalpy of Vaporization: 73.98 kJ/mol; (18)Boiling Point: 476.1 °C at 760 mmHg; (19)Vapour Pressure: 3.13E-09 mmHg at 25°C.

Uses of Ethylene undecane dicarboxylate: it can be used to produce tridecane-1,13-diol at ambient temperature. It will need reagent LiAlH4 and solvent diethyl ether with reaction time of 3.5 hours. The yield is about 98%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OCCOC(=O)CCCCCCCCCCC1
(2)InChI: InChI=1/C15H26O4/c16-14-10-8-6-4-2-1-3-5-7-9-11-15(17)19-13-12-18-14/h1-13H2
(3)InChIKey: XRHCAGNSDHCHFJ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C15H26O4/c16-14-10-8-6-4-2-1-3-5-7-9-11-15(17)19-13-12-18-14/h1-13H2
(5)Std. InChIKey: XRHCAGNSDHCHFJ-UHFFFAOYSA-N

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