Product Name

  • Name

    METHYL TRANS-2-OCTENOATE

  • EINECS 230-912-6
  • CAS No. 7367-81-9
  • Article Data45
  • CAS DataBase
  • Density 0.896 g/cm3
  • Solubility
  • Melting Point
  • Formula C9H16O2
  • Boiling Point 194.6 °C at 760 mmHg
  • Molecular Weight 156.225
  • Flash Point 82.8 °C
  • Transport Information
  • Appearance COLORLESS LIQUID
  • Safety 26-36/37/39
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 7367-81-9 (METHYL TRANS-2-OCTENOATE)
  • Hazard Symbols R36/38:Irritating to eyes and skin.;
  • Synonyms Methyl (2E)-oct-2-enoate;
  • PSA 26.30000
  • LogP 2.29590

Synthetic route

methyl 2-octynoate
111-12-6

methyl 2-octynoate

methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

Conditions
ConditionsYield
Stage #1: methyl 2-octynoate With tris-(dibenzylideneacetone)dipalladium(0); 1,4-di(diphenylphosphino)-butane In 1,4-dioxane; water at 20℃; for 0.25h; Inert atmosphere;
Stage #2: With formic acid In 1,4-dioxane at 80℃; for 10h; Inert atmosphere; optical yield given as %ee; stereoselective reaction;		93%
Stage #1: methyl 2-octynoate With Triethoxysilane; tris(acetonitrile)pentamethylcyclopentadienylruthenium(II) hexafluorophosphate In dichloromethane at 20℃; for 0.5h;
Stage #2: With copper(l) iodide; tetrabutyl ammonium fluoride In tetrahydrofuran at 20℃; for 20h; Further stages.;		83%
methyl (2Z)-3-iodooct-2-enoate
160729-74-8

methyl (2Z)-3-iodooct-2-enoate

methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

Conditions
ConditionsYield
Stage #1: methyl (2Z)-3-iodooct-2-enoate In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; diethyl ether at -78℃; for 0.5h;
Stage #2: With water In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; diethyl ether at 20℃; for 0.5h; Further stages.;		92%
((1R,2S)-1-Methoxy-2-pentyl-cyclopropoxy)-trimethyl-silane

((1R,2S)-1-Methoxy-2-pentyl-cyclopropoxy)-trimethyl-silane

A

methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

B

(E)-methyl oct-3-enoate
35234-16-3

(E)-methyl oct-3-enoate

C

2,3-dichloro-5,6-dicyanohydroquinone
4640-41-9

2,3-dichloro-5,6-dicyanohydroquinone

D

methyl (Z)-oct-3-enoate
69668-85-5

methyl (Z)-oct-3-enoate

Conditions
ConditionsYield
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In acetonitrile at 60℃; for 20h; Yields of byproduct given;A 76%
B n/a
C 86%
D n/a
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In acetonitrile at 60℃; for 20h; Yield given;A 76%
B n/a
C 86%
D n/a
...Expand
(E)-allyl methyl hept-1-en-1-ylphosphonate

(E)-allyl methyl hept-1-en-1-ylphosphonate

(E)-diallyl hept-1-en-1-ylphosphonate

(E)-diallyl hept-1-en-1-ylphosphonate

acrylic acid methyl ester
292638-85-8

acrylic acid methyl ester

A

methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

B

2-methoxy-2,5-dihydro-1,2-oxaphosphole 2-oxide

2-methoxy-2,5-dihydro-1,2-oxaphosphole 2-oxide

C

(E)-methyl 4-((2-oxido-1,2-oxaphosphol-2(5H)-yl)oxy)but-2-enoate

(E)-methyl 4-((2-oxido-1,2-oxaphosphol-2(5H)-yl)oxy)but-2-enoate

Conditions
ConditionsYield
With tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride; copper(l) iodide In dichloromethane for 16h; Inert atmosphere; Reflux;A 86%
B n/a
C n/a
...Expand
hexanal
66-25-1

hexanal

methyl (triphenylphosphoranylidene)acetate
21204-67-1

methyl (triphenylphosphoranylidene)acetate

methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

Conditions
ConditionsYield
In dichloromethane at 20℃; for 17h; Wittig Olefination; Inert atmosphere;85%
In benzene for 48h; Heating;83%
In tetrahydrofuran for 4h; Reflux;80%
In dichloromethane at 23℃; for 17h; Inert atmosphere;70%
methanol
67-56-1

methanol

1-Heptyne
628-71-7

1-Heptyne

carbon monoxide
201230-82-2

carbon monoxide

A

methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

B

methyl α-pentyl acrylate
69565-06-6

methyl α-pentyl acrylate

Conditions
ConditionsYield
With palladium diacetate; toluene-4-sulfonic acid; 1,4-di(diphenylphosphino)-butane In acetonitrile at 110℃; under 5171.62 Torr; for 1h; Autoclave; regioselective reaction;A 85%
B 15%
...Expand
methyl (triphenylphosphoranylidene)acetate
21204-67-1

methyl (triphenylphosphoranylidene)acetate

hexan-1-ol
111-27-3

hexan-1-ol

A

methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

B

2-cis octenoic acid methyl ester
68854-59-1

2-cis octenoic acid methyl ester

Conditions
ConditionsYield
Stage #1: hexan-1-ol With Celite; pyridinium chlorochromate In dichloromethane at 20℃;
Stage #2: methyl (triphenylphosphoranylidene)acetate In dichloromethane at 20℃; for 24h; Wittig olefination;		A 82%
B n/a
...Expand
hexanal
66-25-1

hexanal

methyl (triphenylphosphoranylidene)acetate
21204-67-1

methyl (triphenylphosphoranylidene)acetate

A

methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

B

2-cis octenoic acid methyl ester
68854-59-1

2-cis octenoic acid methyl ester

Conditions
ConditionsYield
for 3h; Heating;A 80%
B n/a
In water at 20℃; for 1h; Wittig reaction; Title compound not separated from byproducts.;
...Expand
(E)-allyl methyl hept-1-en-1-ylphosphonate

(E)-allyl methyl hept-1-en-1-ylphosphonate

acrylic acid methyl ester
292638-85-8

acrylic acid methyl ester

A

methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

B

2-methoxy-2,5-dihydro-1,2-oxaphosphole 2-oxide

2-methoxy-2,5-dihydro-1,2-oxaphosphole 2-oxide

Conditions
ConditionsYield
With tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride; copper(l) iodide In dichloromethane for 16h; Inert atmosphere; Reflux;A 78%
B n/a
...Expand
(+/-)-trimethyl(1-methoxy-2-pentylcyclopropoxy)silane
344332-97-4

(+/-)-trimethyl(1-methoxy-2-pentylcyclopropoxy)silane

A

methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

B

methyl (Z)-non-3-enoate
41654-16-4

methyl (Z)-non-3-enoate

C

methyl (trans-3-nonenoate)
36781-67-6

methyl (trans-3-nonenoate)

Conditions
ConditionsYield
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In acetonitrile at 60℃; for 20h; Yields of byproduct given;A 76%
B n/a
C n/a
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In acetonitrile at 60℃; for 20h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
...Expand
methyl (2S,3S)-2-iodo-3-hydroxyoctanoate
171016-45-8

methyl (2S,3S)-2-iodo-3-hydroxyoctanoate

C5H3F3O4S

C5H3F3O4S

A

methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

B

methyl (2S,3S)-2-iodo-3-(butynoyloxy)octanoate
171231-65-5

methyl (2S,3S)-2-iodo-3-(butynoyloxy)octanoate

Conditions
ConditionsYield
In dichloromethane 1.) from -20 deg C to r.t.; 2.) r.t., 10 h;A 25%
B 75%
...Expand
methyl (2R,3S)-3-pentyloxiranecarboxylate
107797-02-4

methyl (2R,3S)-3-pentyloxiranecarboxylate

A

methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

B

methyl (2S,3S)-2-iodo-3-hydroxyoctanoate
171016-45-8

methyl (2S,3S)-2-iodo-3-hydroxyoctanoate

C

methyl (2S,3R)-2-hydroxy-3-iodooctanoate

methyl (2S,3R)-2-hydroxy-3-iodooctanoate

Conditions
ConditionsYield
With chloro-trimethyl-silane; sodium iodide In acetonitrile at -20℃; for 1h;A 7 % Spectr.
B 72%
C 6 % Spectr.
...Expand
methyl (2S,3S)-2-iodo-3-hydroxyoctanoate
171016-45-8

methyl (2S,3S)-2-iodo-3-hydroxyoctanoate

TMS-propynoyl triflate
1026856-11-0

TMS-propynoyl triflate

A

methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

B

methyl (2S,3S)-2-iodo-3-(trimethylsilylpropynoyloxy)octanoate
171231-64-4

methyl (2S,3S)-2-iodo-3-(trimethylsilylpropynoyloxy)octanoate

Conditions
ConditionsYield
In dichloromethane 1.) from -20 deg C to r.t.; 2.) r.t., 10 h;A 25%
B 71%
...Expand
(E)-8-bromooct-2-enoic acid methyl ester
68750-34-5

(E)-8-bromooct-2-enoic acid methyl ester

A

methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

B

methyl cyclohexylacetate
14352-61-5

methyl cyclohexylacetate

Conditions
ConditionsYield
With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In benzene for 10h; Heating;A n/a
B 66%
Malonic acid monomethyl ester
16695-14-0

Malonic acid monomethyl ester

hexanal
66-25-1

hexanal

methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

Conditions
ConditionsYield
With pyrrolidine; pyridine at 20℃; for 24h;66%
hexanal
66-25-1

hexanal

bromoacetic acid methyl ester
96-32-2

bromoacetic acid methyl ester

methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

Conditions
ConditionsYield
With triphenyl phosphite; tri-n-butylarsine; potassium carbonate In tetrahydrofuran; acetonitrile for 31h; Ambient temperature;64%
methyl 2-diazooctanoate

methyl 2-diazooctanoate

A

methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

B

2-cis octenoic acid methyl ester
68854-59-1

2-cis octenoic acid methyl ester

C

C9H16O2

C9H16O2

Conditions
ConditionsYield
With Li[Al(perfluoro-tertbutoxide)4]; [Fe(N,N’-bis(pentafluorophenyl)-o-phenylenediamide)(tetrahydrofuran)]2 In dichloromethane at 25℃; for 24h; Schlenk technique; Inert atmosphere;A n/a
B n/a
C 64%
...Expand
Methyl diethylphosphonoacetate
1067-74-9

Methyl diethylphosphonoacetate

hexanal
66-25-1

hexanal

methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

Conditions
ConditionsYield
With triethylamine In acetonitrile at 20℃; under 6000480 Torr; for 24h; Horner-Wadsworth-Emmons reaction;54%
With sodium hydride In diethylene glycol dimethyl ether
Stage #1: Methyl diethylphosphonoacetate With sodium hydride In 1,2-dimethoxyethane at 0℃; for 0.5h; Inert atmosphere;
Stage #2: hexanal In 1,2-dimethoxyethane at 0 - 20℃; for 3h; Inert atmosphere;
2-methylpropen-1-ylmagnesium bromide
38614-36-7

2-methylpropen-1-ylmagnesium bromide

methyl (E)-2-iodo-2-octenoate
144079-78-7

methyl (E)-2-iodo-2-octenoate

A

methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

B

7,8-di(carbomethoxy)-6,8-tetradecadiene
144079-84-5

7,8-di(carbomethoxy)-6,8-tetradecadiene

C

methyl (Z)-2-(2-methyl-1-propenyl)-2-octenoate
145099-83-8

methyl (Z)-2-(2-methyl-1-propenyl)-2-octenoate

D

methyl (E)-2-(2-methyl-1-propenyl)-2-octenoate
145099-84-9

methyl (E)-2-(2-methyl-1-propenyl)-2-octenoate

Conditions
ConditionsYield
With zinc(II) chloride; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran 1) -25 deg C, 3.5 h, 2) room temperature, 16 h, 3) reflux, 4 h; Further byproducts given. Yields of byproduct given;A n/a
B 16%
C n/a
D n/a
With zinc(II) chloride; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran 1) -25 deg C, 3.5 h, 2) room temperature, 16 h, 3) reflux, 4 h; Yield given. Further byproducts given. Title compound not separated from byproducts;A n/a
B 16%
C n/a
D n/a
...Expand
3-hydroxyoctanoic acid methyl ester
7367-87-5

3-hydroxyoctanoic acid methyl ester

A

methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

methyl 3-fluorooctanoate

methyl 3-fluorooctanoate

methyl 3-fluorooctanoate

methyl 3-fluorooctanoate

Conditions
ConditionsYield
With diethylamino-sulfur trifluoride In dichloromethane at -70℃; for 0.333333h; Inert atmosphere; Overall yield = 40 %; Overall yield = 17 mg;A 15%
B n/a
C n/a
...Expand
methyl 2-octynoate
111-12-6

methyl 2-octynoate

A

methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

B

2-cis octenoic acid methyl ester
68854-59-1

2-cis octenoic acid methyl ester

Conditions
ConditionsYield
With N,N,N,N,N,N-hexamethylphosphoric triamide; copper(l) iodide; methyllithium; diisobutylaluminium hydride In tetrahydrofuran; hexane at -50℃; for 1h;A 12%
B 7%
With quinoline; hydrogen; Lindlar's catalyst In ethyl acetate under 760 Torr; Yield given. Yields of byproduct given;
diazomethane
186581-53-3, 908094-01-9

diazomethane

(E)-oct-2-enoic acid
1871-67-6

(E)-oct-2-enoic acid

methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

Conditions
ConditionsYield
With diethyl ether durch Veresterung;
In diethyl ether
1,1-dimethoxyethylene
922-69-0

1,1-dimethoxyethylene

hexanal
66-25-1

hexanal

methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

Conditions
ConditionsYield
at 200℃;
methanol
67-56-1

methanol

1-Heptyne
628-71-7

1-Heptyne

carbon monoxide
201230-82-2

carbon monoxide

methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

Conditions
ConditionsYield
With bis-triphenylphosphine-palladium(II) chloride; tin(ll) chloride
...Expand
trans-Methyl-N-phenyl-2-octenoimidat
56830-01-4

trans-Methyl-N-phenyl-2-octenoimidat

methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

Conditions
ConditionsYield
With hydrogenchloride
dichloromethane
75-09-2

dichloromethane

Z-dimethyltertiobutylsilyloxy-1 methoxy-1 heptene-1
100340-44-1

Z-dimethyltertiobutylsilyloxy-1 methoxy-1 heptene-1

A

methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

B

2-cis octenoic acid methyl ester
68854-59-1

2-cis octenoic acid methyl ester

tert-Butyl-((1S,2R,3R)-2-chloro-1-methoxy-3-pentyl-cyclopropoxy)-dimethyl-silane

tert-Butyl-((1S,2R,3R)-2-chloro-1-methoxy-3-pentyl-cyclopropoxy)-dimethyl-silane

tert-Butyl-((1S,2S,3R)-2-chloro-1-methoxy-3-pentyl-cyclopropoxy)-dimethyl-silane

tert-Butyl-((1S,2S,3R)-2-chloro-1-methoxy-3-pentyl-cyclopropoxy)-dimethyl-silane

Conditions
ConditionsYield
With sodium hexamethyldisilazane Product distribution; Mechanism; multistep reaction: 1.) pentane -15 deg C; 2.) methanol-triethylamine, reflux; studied: the stereochemistry (E or Z) in the addition reaction of ketene alkylsilyl acetals with chloro-, chloromethyl- and chlorophenyl carbenes;
...Expand
methyl hexanoate
106-70-7

methyl hexanoate

trimethyl phosphonoacetate
5927-18-4

trimethyl phosphonoacetate

A

methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

B

2-cis octenoic acid methyl ester
68854-59-1

2-cis octenoic acid methyl ester

Conditions
ConditionsYield
With n-butyllithium; diisobutylaluminium hydride In tetrahydrofuran at -78℃; Yield given. Yields of byproduct given;
...Expand
methyl α-iodocaprylate
73635-61-7

methyl α-iodocaprylate

A

methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

B

(E)-methyl oct-3-enoate
35234-16-3

(E)-methyl oct-3-enoate

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In N,N-dimethyl-formamide at 80℃; for 3h; Yield given;
methyl 2-phenylsulfinylacetate
14090-83-6

methyl 2-phenylsulfinylacetate

1-Iodohexane
638-45-9

1-Iodohexane

A

methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

B

(E)-2-Hexyl-oct-2-enoic acid methyl ester
111036-55-6, 135987-03-0

(E)-2-Hexyl-oct-2-enoic acid methyl ester

Conditions
ConditionsYield
With sodium hydride 1) DMF, 20 deg C, 0.2 h, 2) toluene, 110 deg C, 15 min; Yield given. Multistep reaction. Yields of byproduct given;
...Expand
methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

methyl (2R,3S)-2,3-dihydroxyoctanoate
1593758-37-2

methyl (2R,3S)-2,3-dihydroxyoctanoate

Conditions
ConditionsYield
With methanesulfonamide; AD-mix-α In water; tert-butyl alcohol at 0 - 20℃; for 96h;98%
With methanesulfonamide; AD-mix-α; water In tert-butyl alcohol at 0℃; for 96h; Sharpless Dihydroxylation; Inert atmosphere; stereoselective reaction;75%
methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

2-hydroxyoctanoic acid methyl ester
73634-76-1

2-hydroxyoctanoic acid methyl ester

Conditions
ConditionsYield
With phenylsilane; oxygen; bis(dipivaloylmethanato)manganese(II) In isopropyl alcohol at 0℃; under 760 Torr; for 5h;94%
nitromethane
75-52-5

nitromethane

methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

3-nitrooctanoic acid methyl ester
664304-85-2

3-nitrooctanoic acid methyl ester

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene at 20℃;94%
tert-butyl acetoacetate
1694-31-1

tert-butyl acetoacetate

methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

C16H26O4

C16H26O4

Conditions
ConditionsYield
With sodium methylate In methanol for 2.5h; Inert atmosphere; Reflux;91%
methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

lithium benzyl-(R)-1-phenylethylamide

lithium benzyl-(R)-1-phenylethylamide

(R)-3-[Benzyl-((R)-1-phenyl-ethyl)-amino]-octanoic acid methyl ester
486449-97-2

(R)-3-[Benzyl-((R)-1-phenyl-ethyl)-amino]-octanoic acid methyl ester

Conditions
ConditionsYield
90%
2,2-dimethyl-3-butyne
917-92-0

2,2-dimethyl-3-butyne

methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

methyl 3-[(E)-3,3-dimethyl-1-butene-1-yl]octanoate

methyl 3-[(E)-3,3-dimethyl-1-butene-1-yl]octanoate

Conditions
ConditionsYield
Stage #1: 3,3-Dimethylbut-1-yne With CpZrHCl In dichloromethane at 20℃; for 0.25h;
Stage #2: methyl (E)-oct-2-enoate; chloro(1,5-cyclooctadiene)rhodium(I) dimer In 1,4-dioxane at 20℃; for 1h; Further stages.;		90%
methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

(E)-oct-2-enoic acid
1871-67-6

(E)-oct-2-enoic acid

Conditions
ConditionsYield
With potassium fluoride; tetrabutyl ammonium fluoride In tetrahydrofuran; water at 70℃; for 7h;90%
With lithium hydroxide In tetrahydrofuran; water for 2.5h; Reflux;
methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

2,2,2-trifluoroethyl 2-(4-bromophenyl)-2-diazoacetate

2,2,2-trifluoroethyl 2-(4-bromophenyl)-2-diazoacetate

1-methyl 9-(2,2,2-trifluoroethyl) (7R,8S,E)-8-(4-bromophenyl)-7-methylnon-2-enedioate

1-methyl 9-(2,2,2-trifluoroethyl) (7R,8S,E)-8-(4-bromophenyl)-7-methylnon-2-enedioate

Conditions
ConditionsYield
Stage #1: methyl (E)-oct-2-enoate With dirhodium tetrakis((S)-1-(5-trifluoromethyl-2-chlorophenyl)-2,2-diphenylcyclopropanecarboxylate) In dichloromethane at 23℃; for 0.166667h; Inert atmosphere;
Stage #2: 2,2,2-trifluoroethyl 2-(4-bromophenyl)-2-diazoacetate In dichloromethane at 23℃; for 2h; Reagent/catalyst; Inert atmosphere; stereoselective reaction;		90%
methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

(2S,3R)-(+)-methyl 2,3-dihydroxyoctanoate
132486-46-5

(2S,3R)-(+)-methyl 2,3-dihydroxyoctanoate

Conditions
ConditionsYield
With methanesulfonamide; AD-mix-β In water; tert-butyl alcohol at 0 - 20℃; for 96h;88%
methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

(2S*,3R*)-methyl 2,3-epoxyoctanoate
100939-32-0

(2S*,3R*)-methyl 2,3-epoxyoctanoate

Conditions
ConditionsYield
With [2,2]bipyridinyl; silver(I) acetate; lithium perchlorate In water; acetonitrile electrochemical oxidation;80%
methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

bis(pinacol)diborane
73183-34-3

bis(pinacol)diborane

(S)-Methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octanoate
1198171-98-0

(S)-Methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octanoate

Conditions
ConditionsYield
With [CN2(C6H3-2-Mes-5-iPr)(Mes)C2H2Ph2]BF4; 1,8-diazabicyclo[5.4.0]undec-7-ene; MeOH In tetrahydrofuran (N2), 22°C, 14 h;80%
With methanol; BF4(1-)*C42H45N2(1+); 1,8-diazabicyclo[5.4.0]undec-7-ene In tetrahydrofuran at 22℃; for 14h; Inert atmosphere; enantioselective reaction;80%
methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

methyl 3-oxooctanoate
22348-95-4

methyl 3-oxooctanoate

Conditions
ConditionsYield
With methanol; water; oxygen; toluene-4-sulfonic acid; palladium dichloride In N,N-dimethyl acetamide at 80℃; under 4560.31 Torr; for 3h; Reagent/catalyst; Solvent; Time; Pressure; Concentration; Autoclave; regioselective reaction;79%
methyl (E)-oct-2-enoate
7367-81-9

methyl (E)-oct-2-enoate

(1Z,4Z)-1,5-diiodopenta-1,4-diene
63382-68-3

(1Z,4Z)-1,5-diiodopenta-1,4-diene

(E)-1-heptenylbenzene
10201-58-8

(E)-1-heptenylbenzene

Conditions
ConditionsYield
Stage #1: (1Z,4Z)-1,5-diiodopenta-1,4-diene With n-butyllithium; isopropylmagnesium chloride In tetrahydrofuran; hexane at -20℃; for 2h; Inert atmosphere;
Stage #2: methyl (E)-oct-2-enoate In tetrahydrofuran; hexane at -20℃; for 2h; Inert atmosphere;		60%

2-Octenoic acid, methylester, (2E)- Specification

The 2-Octenoic acid, methylester, (2E)-, with the CAS registry number of 7367-81-9, is also known as Methyl (2E)-oct-2-enoate. It belongs to the product categories of Alphabetical Listings; Flavors and Fragrances; M-N. Its EINECS registry number is 230-912-6. Its molecular formula is C9H16O2 and molecular weight is 156.22. What's more, its IUPAC name is Methyl (E)-oct-2-enoate. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the 2-Octenoic acid, methylester, (2E)- are: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.436; (8)Molar Refractivity: 45.57 cm3; (9)Molar Volume: 174.1 cm3; (10)Surface Tension: 28.4 dyne/cm; (11)Density: 0.896 g/cm3; (12)Flash Point: 82.8 °C; (13)Enthalpy of Vaporization: 43.08 kJ/mol; (14)Boiling Point: 194.6 °C at 760 mmHg; (15)Vapour Pressure: 0.437 mmHg at 25 °C.

Preparation: this chemical can be obtained by 3-Chloro-1-octenyl-1,1-bis thiobenzene and Methanol. The reaction needs reagent I2 and solvent Methanol. The reaction time is 2 h. The yield is about 57 %.

The 2-Octenoic acid, methylester, (2E)- can be obtained by 3-Chloro-1-octenyl-1,1-bis thiobenzene and Methanol

Uses: it is used to produce other chemicals. For example, it is used to produce 3-[1,3]Dithian-2-yl-octanoic acid methyl ester. This reaction needs reagent HMPA. Meanwhile, it needs solvent Tetrahydrofuran. The reaction time is 0.2 h with reaction temperature of -78 °C. The yield is about 35 %.

The 2-Octenoic acid, methylester, (2E)- can react with [1,3]Dithian-2-yl-lithium to get 3-[1,3]Dithian-2-yl-octanoic acid methyl ester

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)/C=C/CCCCC
(2) InChI: InChI=1/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h7-8H,3-6H2,1-2H3/b8-7+
(3) InChIKey: CJBQSBZJDJHMLF-BQYQJAHWBV

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View