Name: METHYL TRANS-2-HEXENOATE, 98
SKU: 13894-63-8

Products Categories

Pharmaceutical (21)
Organic Chemicals (8)
Others (7)
Reagent (3)
Materials (2)
Basic Inorganic Chemicals (1)

Basic Information

CAS No.:

13894-63-8

Name:

METHYL TRANS-2-HEXENOATE, 98

Molecular Structure:

Formula:

C7H12 O2

Molecular Weight:

128.171

Synonyms:

2-Hexenoicacid, methyl ester, (E)- (8CI); (2E)-2-Hexenoic acid methyl ester; Methyl(E)-2-hexenoate; Methyl trans-2-hexenoate; Methyl trans-2-hexenoate

Density:

0.907g/cm³

Boiling Point:

149.3°Cat760mmHg

Flash Point:

45.4°C

Hazard Symbols:

R10:Flammable.; R36/37/38:Irritating to eyes, respiratory system and skin.;

Risk Codes:

10-36/37/38

Safety:

Risk Statements	10-36/37/38
Safety Statements	26-36
RIDADR	3272
HazardClass	3
PackingGroup	III

PSA:

26.30000

LogP:

1.51570

Synthetic route

: 67-56-1
methanol

: 13419-69-7
(E)-2-Hexenoic acid

: 13894-63-8
methyl (E)-hex-2-enoate

Conditions

Conditions	Yield
Stage #1: (E)-2-Hexenoic acid With oxalyl dichloride In tetrahydrofuran; N,N-dimethyl-formamide for 0.5h; Cooling with ice; Stage #2: methanol In tetrahydrofuran; N,N-dimethyl-formamide at 10 - 35℃; for 2h;	100%
With ethenetetracarbonitrile at 60℃; for 48h;	43%
With sulfuric acid Ambient temperature;
With sulfuric acid Reflux;

: 689-89-4
(2E,4E)-methylhexa-2,4-dienoate

: 13894-63-8
methyl (E)-hex-2-enoate

Conditions

Conditions	Yield
With hydrogen; montmorillonit-bipyridinpalladium(II)-acetate In tetrahydrofuran Ambient temperature;	97%

: 13419-69-7
(E)-2-Hexenoic acid

: 74-88-4
methyl iodide

: 13894-63-8
methyl (E)-hex-2-enoate

Conditions

Conditions	Yield
With cesium fluoride In N,N-dimethyl-formamide at 10 - 15℃; for 24h;	80%

: 93101-95-2
3-Benzenesulfonyl-hexanoic acid methyl ester

: 13894-63-8
methyl (E)-hex-2-enoate

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane	76%

: 21204-67-1
methyl (triphenylphosphoranylidene)acetate

: 71-36-3
butan-1-ol

A: 13894-63-8
methyl (E)-hex-2-enoate

B: 13894-64-9
methyl (Z)-hex-2-enoate

Conditions

Conditions	Yield
Stage #1: butan-1-ol With Celite; pyridinium chlorochromate In dichloromethane at 20℃; Stage #2: methyl (triphenylphosphoranylidene)acetate In dichloromethane at 20℃; for 24h; Wittig olefination;	A 73% B n/a

...Expand

: 123-72-8
butyraldehyde

: 21204-67-1
methyl (triphenylphosphoranylidene)acetate

: 13894-63-8
methyl (E)-hex-2-enoate

Conditions

Conditions	Yield
In tetrahydrofuran for 4h; Reflux;	70%

: 123-72-8
butyraldehyde

: 21204-67-1
methyl (triphenylphosphoranylidene)acetate

A: 13894-63-8
methyl (E)-hex-2-enoate

B: 13894-64-9
methyl (Z)-hex-2-enoate

Conditions

Conditions	Yield
for 3h; Heating;	A 51% B n/a
In hexane at 25℃; for 42h; Yield given. Yields of byproduct given;
With silica gel In hexane at 25℃; for 2h; Yield given. Yields of byproduct given;

...Expand

: 186581-53-3, 908094-01-9
diazomethane

: 13419-69-7
(E)-2-Hexenoic acid

: 13894-63-8
methyl (E)-hex-2-enoate

: 67-56-1
methanol

: 148811-03-4
2-hydroxy-3-heptenenitrile

: 13894-63-8
methyl (E)-hex-2-enoate

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; triethylamine; tris(triphenylphosphine)ruthenium(II) chloride 1.) benzene, 15 to 20 deg C, 8 h; Yield given. Multistep reaction;
With tert.-butylhydroperoxide; triethylamine; tris(triphenylphosphine)ruthenium(II) chloride 1) CH2Cl2, benzene, r.t., overnight, 2) 3 h; Yield given. Multistep reaction;