Product Name

  • Name

    Methyl 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoate

  • EINECS
  • CAS No. 153559-45-6
  • Article Data10
  • CAS DataBase
  • Density 1.055
  • Solubility
  • Melting Point 143-144 °C(Solv: ethyl acetate (141-78-6); methanol (67-56-1))
  • Formula C24H28 O3
  • Boiling Point 472.829oC at 760 mmHg
  • Molecular Weight 364.485
  • Flash Point 203.311oC
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 153559-45-6 (Methyl 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoate)
  • Hazard Symbols
  • Synonyms Methyl4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoate
  • PSA 43.37000
  • LogP 5.36160

Synthetic route

Monomethyl terephthalate
1679-64-7

Monomethyl terephthalate

1,1,4,4,6-pentamethyl-1,2,3,4-tetrahydronaphthalene
6683-48-3

1,1,4,4,6-pentamethyl-1,2,3,4-tetrahydronaphthalene

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
153559-45-6

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate

Conditions
ConditionsYield
With aluminum (III) chloride; thionyl chloride In dichloromethane at 20℃; for 4h; Temperature; Solvent; Reflux;95.3%
1,1,4,4,6-pentamethyl-1,2,3,4-tetrahydronaphthalene
6683-48-3

1,1,4,4,6-pentamethyl-1,2,3,4-tetrahydronaphthalene

4-Methoxycarbonylbenzoyl chloride
7377-26-6

4-Methoxycarbonylbenzoyl chloride

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
153559-45-6

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate

Conditions
ConditionsYield
With aluminum (III) chloride Friedel Crafts Acylation;82%
With iron(III) chloride In 1,2-dichloro-ethane at 75℃; for 16h; Friedel-Crafts acylation;81%
With aluminium trichloride In dichloromethane for 0.25h; Heating;72%
2,5-dimethyl-2,5-hexanediol
110-03-2

2,5-dimethyl-2,5-hexanediol

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
153559-45-6

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: HCl conc. / 3 h / 20 °C
2: 99 percent / AlCl3 / CH2Cl2 / 20 °C
3: 81 percent / FeCl3 / 1,2-dichloro-ethane / 16 h / 75 °C
View Scheme
Multi-step reaction with 3 steps
1: 56 percent / HCl gas / ethanol
2: 91 percent / AlCl3 / CH2Cl2 / 1.) RT, 30 min, 2.) reflux, 15 min
3: 72 percent / AlCl3 / CH2Cl2 / 0.25 h / Heating
View Scheme
Multi-step reaction with 3 steps
1: hydrogenchloride / water
2: aluminum (III) chloride
3: aluminum (III) chloride
View Scheme
2,5-dichloro-2,5-dimethyl hexane
6223-78-5

2,5-dichloro-2,5-dimethyl hexane

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
153559-45-6

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 99 percent / AlCl3 / CH2Cl2 / 20 °C
2: 81 percent / FeCl3 / 1,2-dichloro-ethane / 16 h / 75 °C
View Scheme
Multi-step reaction with 2 steps
1: aluminum (III) chloride
2: aluminum (III) chloride
View Scheme
Multi-step reaction with 2 steps
1: aluminum (III) chloride / 1 h / 0 - 20 °C
2: iron(III) chloride / 1,2-dichloro-ethane / 75 °C / Inert atmosphere
View Scheme
1,1,4,4,7-pentamethyl-2-oxo-1,2,3,4-tetrahydronaphthalene
29020-85-7

1,1,4,4,7-pentamethyl-2-oxo-1,2,3,4-tetrahydronaphthalene

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
153559-45-6

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 87 percent / LiAlH4 / diethyl ether / 1 h / Heating
2: 79 percent / POCl3, pyridine / 100 °C
3: 80 percent / H2 / 10percent Pd/C / ethyl acetate / 1 h
4: 67 percent / AlCl3 / CH2Cl2 / 0.25 h / Heating
View Scheme
2,2,5,5-tetramethyltetrahydro-3-oxofuran
5455-94-7

2,2,5,5-tetramethyltetrahydro-3-oxofuran

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
153559-45-6

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 45 percent / AlCl3 / 2 h / 0 - 20 °C
2: 87 percent / LiAlH4 / diethyl ether / 1 h / Heating
3: 79 percent / POCl3, pyridine / 100 °C
4: 80 percent / H2 / 10percent Pd/C / ethyl acetate / 1 h
5: 67 percent / AlCl3 / CH2Cl2 / 0.25 h / Heating
View Scheme
toluene
108-88-3

toluene

(+-)-o-toluenesulfinic acid-chloride

(+-)-o-toluenesulfinic acid-chloride

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
153559-45-6

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 45 percent / AlCl3 / 2 h / 0 - 20 °C
2: 87 percent / LiAlH4 / diethyl ether / 1 h / Heating
3: 79 percent / POCl3, pyridine / 100 °C
4: 80 percent / H2 / 10percent Pd/C / ethyl acetate / 1 h
5: 67 percent / AlCl3 / CH2Cl2 / 0.25 h / Heating
View Scheme
1,1,4,4,6-pentamethyl-1,4-dihydronaphthalene
167958-79-4

1,1,4,4,6-pentamethyl-1,4-dihydronaphthalene

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
153559-45-6

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 80 percent / H2 / 10percent Pd/C / ethyl acetate / 1 h
2: 67 percent / AlCl3 / CH2Cl2 / 0.25 h / Heating
View Scheme
1,1,4,4,7-pentamethyl-2-hydroxy-1,2,3,4-tetrahydronaphthalene
167958-78-3

1,1,4,4,7-pentamethyl-2-hydroxy-1,2,3,4-tetrahydronaphthalene

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
153559-45-6

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 79 percent / POCl3, pyridine / 100 °C
2: 80 percent / H2 / 10percent Pd/C / ethyl acetate / 1 h
3: 67 percent / AlCl3 / CH2Cl2 / 0.25 h / Heating
View Scheme
2,5-dichloro-2,5-dimethyl hexane
6223-78-5

2,5-dichloro-2,5-dimethyl hexane

petroleum ether

petroleum ether

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
153559-45-6

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 91 percent / AlCl3 / CH2Cl2 / 1.) RT, 30 min, 2.) reflux, 15 min
2: 72 percent / AlCl3 / CH2Cl2 / 0.25 h / Heating
View Scheme
Monomethyl terephthalate
1679-64-7

Monomethyl terephthalate

1,1,4,4,6-pentamethyl-1,2,3,4-tetrahydronaphthalene
6683-48-3

1,1,4,4,6-pentamethyl-1,2,3,4-tetrahydronaphthalene

A

C38H46O2
1349659-51-3

C38H46O2

B

4-[(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)carbonyl]benzoic acid
153559-46-7

4-[(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)carbonyl]benzoic acid

C

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
153559-45-6

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate

Conditions
ConditionsYield
Stage #1: Monomethyl terephthalate; 1,1,4,4,6-pentamethyl-1,2,3,4-tetrahydronaphthalene With aluminum (III) chloride In dichloromethane at -10 - 44℃; Inert atmosphere; Reflux;
Stage #2: With hydrogenchloride; water In dichloromethane; water at 15 - 20℃;
...Expand
toluene
108-88-3

toluene

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
153559-45-6

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: aluminum (III) chloride / 1 h / 0 - 20 °C
2: iron(III) chloride / 1,2-dichloro-ethane / 75 °C / Inert atmosphere
View Scheme
methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
153559-45-6

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate

4-[(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)carbonyl]benzoic acid
153559-46-7

4-[(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)carbonyl]benzoic acid

Conditions
ConditionsYield
With sodium hydroxide In methanol for 2h; Heating;100%
With potassium hydroxide In methanol; water at 60℃; for 1h;89%
Stage #1: methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate With water; potassium hydroxide In methanol for 1h; Reflux;
Stage #2: With hydrogenchloride In methanol; water at 20℃;		88%
Methyltriphenylphosphonium bromide
1779-49-3

Methyltriphenylphosphonium bromide

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
153559-45-6

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate

methyl 4-<1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl>benzoate
153559-48-9

methyl 4-<1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl>benzoate

Conditions
ConditionsYield
Stage #1: Methyltriphenylphosphonium bromide With potassium hexamethylsilazane In tetrahydrofuran at -30 - 0℃; for 0.5h; Inert atmosphere;
Stage #2: methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate In tetrahydrofuran at -30 - 0℃; for 1h;		69%
Stage #1: Methyltriphenylphosphonium bromide With sodium amide In tetrahydrofuran Inert atmosphere;
Stage #2: methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate In tetrahydrofuran for 1h; Wittig reaction; Inert atmosphere;		66%
With sodium amide In tetrahydrofuran Wittig Reaction;66%
cyclopropyltriphenylphosphonium bromide
14114-05-7

cyclopropyltriphenylphosphonium bromide

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
153559-45-6

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate

4-[cyclopropylidene-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-methyl]-benzoic acid methyl ester

4-[cyclopropylidene-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-methyl]-benzoic acid methyl ester

Conditions
ConditionsYield
With Tris(3,6-dioxaheptyl)amine; potassium hexamethylsilazane In toluene Substitution; Heating;69%
dimethyl zinc(II)
544-97-8

dimethyl zinc(II)

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
153559-45-6

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate

methyl 4-<1-methyl-1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl>benzoate

methyl 4-<1-methyl-1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl>benzoate

Conditions
ConditionsYield
With titanium tetrachloride 1.) CH2Cl2, -30 deg C, 30 min, 2.) CH2Cl2, 30 min; Yield given. Multistep reaction;
methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
153559-45-6

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate

cis-4-<(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)carbonyl>benzoic acid oxime

cis-4-<(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)carbonyl>benzoic acid oxime

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 100 percent / aq. NaOH / methanol / 2 h / Heating
2: 1.98 g / aq. NH2OH / acetic acid / 1 h / Heating
View Scheme
methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
153559-45-6

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate

4-[[(E)-Hydroxyimino]-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-methyl]-benzoic acid

4-[[(E)-Hydroxyimino]-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-methyl]-benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 100 percent / aq. NaOH / methanol / 2 h / Heating
2: aq. NH2OH / acetic acid / 1 h / Heating
View Scheme
methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
153559-45-6

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate

SR11173

SR11173

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 69 percent / KN(SiMe3)2; (MeOCH2CH2OCH2CH2)3N / toluene / Heating
2: 83 percent / aq. KOH; aq. citric acid / ethanol
View Scheme
methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
153559-45-6

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate

bexarotene
153559-49-0

bexarotene

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 1.) 0.5 M potassium bis(trimethylsilyl)amide / 1.) C6H6, tluene, RT, 5 min, 2.) C6H6, toluene, RT, 3 h
2: 91 percent / KOH / methanol; H2O / 1 h / 70 °C
View Scheme
Multi-step reaction with 2 steps
1: 1.) NaNH2 / 1.) THF, 1 h, 2.) THF, 30 min
2: 85 percent / aq. 5N KOH / methanol / 0.17 h / Heating
View Scheme
Multi-step reaction with 2 steps
1: 1.) NaNH2 / 1.) THF, 15 h, 2.) THF, below 50 deg C, 30 min
2: 93 percent / 5 N aq. KOH / methanol / Heating
View Scheme
Multi-step reaction with 2 steps
1.1: potassium hexamethylsilazane / toluene / 0.75 h / 25 - 50 °C / Inert atmosphere
1.2: 2 h / 0 - 5 °C / Inert atmosphere
2.1: potassium hydroxide; water / methanol / 8 h / 25 °C / Reflux
2.2: 10 - 25 °C / pH 1 - 2
View Scheme
Multi-step reaction with 2 steps
1: sodium amide / tetrahydrofuran
2: potassium hydroxide; methanol
View Scheme
methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
153559-45-6

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate

4-[1-methyl-1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzoic acid

4-[1-methyl-1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 1.) TiCl4 / 1.) CH2Cl2, -30 deg C, 30 min, 2.) CH2Cl2, 30 min
2: 73 percent / 5N aq. KOH / methanol / Heating
View Scheme
Methyltriphenylphosphonium bromide
1779-49-3

Methyltriphenylphosphonium bromide

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
153559-45-6

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate

A

C25H30O
1349659-53-5

C25H30O

B

C26H32
1349659-55-7

C26H32

C

C39H48O
1349659-56-8

C39H48O

D

C40H50
1349659-57-9

C40H50

E

methyl 4-<1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl>benzoate
153559-48-9

methyl 4-<1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl>benzoate

Conditions
ConditionsYield
Stage #1: Methyltriphenylphosphonium bromide With potassium hexamethylsilazane In toluene at 25 - 50℃; for 0.75h; Inert atmosphere;
Stage #2: methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate In toluene at 0 - 5℃; for 2h; Inert atmosphere;
...Expand
methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
153559-45-6

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate

4-(1-(3-(difluoromethyl)-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)vinyl)benzoic acid

4-(1-(3-(difluoromethyl)-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)vinyl)benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: N-Bromosuccinimide; dibenzoyl peroxide / tetrachloromethane / 80 °C
2.1: dimethyl sulfoxide / 2 h / 100 °C
3.1: diethylamino-sulfur trifluoride / dichloromethane / 24 h / 20 °C
4.1: potassium hexamethylsilazane / tetrahydrofuran / 0.67 h / -30 - 0 °C
4.2: 3 h / -30 - 0 °C
5.1: lithium hydroxide; water / tetrahydrofuran / 8 h / 50 °C
View Scheme
methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
153559-45-6

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate

methyl 4-[[3-(dibromomethyl)-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl]carbonyl]benzoate

methyl 4-[[3-(dibromomethyl)-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl]carbonyl]benzoate

Conditions
ConditionsYield
With N-Bromosuccinimide; dibenzoyl peroxide In tetrachloromethane at 80℃;
methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
153559-45-6

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate

methyl 4-[(3-formyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]benzoate

methyl 4-[(3-formyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]benzoate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: N-Bromosuccinimide; dibenzoyl peroxide / tetrachloromethane / 80 °C
2: dimethyl sulfoxide / 2 h / 100 °C
View Scheme
methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
153559-45-6

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate

methyl 4-[[3-(difluoromethyl)-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl]carbonyl]benzoate

methyl 4-[[3-(difluoromethyl)-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl]carbonyl]benzoate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: N-Bromosuccinimide; dibenzoyl peroxide / tetrachloromethane / 80 °C
2: dimethyl sulfoxide / 2 h / 100 °C
3: diethylamino-sulfur trifluoride / dichloromethane / 24 h / 20 °C
View Scheme
methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
153559-45-6

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate

methyl 4-[1-[3-(difluoromethyl)-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl]ethenyl]benzoate

methyl 4-[1-[3-(difluoromethyl)-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl]ethenyl]benzoate

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: N-Bromosuccinimide; dibenzoyl peroxide / tetrachloromethane / 80 °C
2.1: dimethyl sulfoxide / 2 h / 100 °C
3.1: diethylamino-sulfur trifluoride / dichloromethane / 24 h / 20 °C
4.1: potassium hexamethylsilazane / tetrahydrofuran / 0.67 h / -30 - 0 °C
4.2: 3 h / -30 - 0 °C
View Scheme
methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
153559-45-6

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate

methyl 4-<1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl>benzoate

methyl 4-<1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl>benzoate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: potassium hexamethylsilazane / tetrahydrofuran / 0.5 h / -30 - 0 °C / Inert atmosphere
1.2: 1 h / -30 - 0 °C
2.1: diethylzinc; trifluoroacetic acid / dichloromethane / 0.5 h / 0 °C / Inert atmosphere
2.2: 2 h / 0 - 20 °C
View Scheme
methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate
153559-45-6

methyl 4-<(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl>benzoate

LGD1268

LGD1268

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: potassium hexamethylsilazane / tetrahydrofuran / 0.5 h / -30 - 0 °C / Inert atmosphere
1.2: 1 h / -30 - 0 °C
2.1: diethylzinc; trifluoroacetic acid / dichloromethane / 0.5 h / 0 °C / Inert atmosphere
2.2: 2 h / 0 - 20 °C
3.1: lithium hydroxide; water / tetrahydrofuran / 24 h / 20 °C
View Scheme

Methyl 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoate Chemical Properties

Molecular Structure of Methyl 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoate (CAS NO.153559-45-6):

Systematic Name: Methyl 4-[(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]benzoate 
Molecular Formula: C24H28O3
Molecular Weight: 364.48
CAS Registry Number: 153559-45-6 
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 4
Index of Refraction: 1.538
Molar Refractivity: 108.073 cm3
Molar Volume: 345.374 cm3
Surface Tension: 38.759 dyne/cm
Density: 1.055 g/cm3
Flash Point: 203.311 °C
Enthalpy of Vaporization: 73.584 kJ/mol
Boiling Point: 472.829 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
SMILES: O=C(OC)c1ccc(cc1)C(=O)c2c(cc3c(c2)C(CCC3(C)C)(C)C)C
InChI: InChI=1/C24H28O3/c1-15-13-19-20(24(4,5)12-11-23(19,2)3)14-18(15)21(25)16-7-9-17(10-8-16)22(26)27-6/h7-10,13-14H,11-12H2,1-6H3
InChIKey: DYVLPJYIGJZAKF-UHFFFAOYAH

Methyl 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoate Specification

 Methyl 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoate (CAS NO.153559-45-6), its Synonym is Benzoic acid,4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]-, methylester .

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