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CAS No.: | 13894-63-8 | ||||||||||
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Name: | METHYL TRANS-2-HEXENOATE, 98 | ||||||||||
Article Data: | 24 | ||||||||||
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: |
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PSA: | 26.30000 | ||||||||||
LogP: | 1.51570 |
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; |
(2E,4E)-methylhexa-2,4-dienoate
methyl (E)-hex-2-enoate
Conditions | Yield |
---|---|
With hydrogen; montmorillonit-bipyridinpalladium(II)-acetate In tetrahydrofuran Ambient temperature; | 97% |
Conditions | Yield |
---|---|
With cesium fluoride In N,N-dimethyl-formamide at 10 - 15℃; for 24h; | 80% |
3-Benzenesulfonyl-hexanoic acid methyl ester
methyl (E)-hex-2-enoate
Conditions | Yield |
---|---|
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane | 76% |
methyl (triphenylphosphoranylidene)acetate
butan-1-ol
A
methyl (E)-hex-2-enoate
B
methyl (Z)-hex-2-enoate
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 |
butyraldehyde
methyl (triphenylphosphoranylidene)acetate
methyl (E)-hex-2-enoate
Conditions | Yield |
---|---|
In tetrahydrofuran for 4h; Reflux; | 70% |
butyraldehyde
methyl (triphenylphosphoranylidene)acetate
A
methyl (E)-hex-2-enoate
B
methyl (Z)-hex-2-enoate
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; |
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; |
methyl (trimethylsilyl)acetate
butyraldehyde
A
methyl (E)-hex-2-enoate
B
methyl (Z)-hex-2-enoate
Conditions | Yield |
---|---|
With lithium diisopropyl amide In tetrahydrofuran |