(Z)-2-Hexenoic acid

Base Information

Chemical Name:(Z)-2-Hexenoic acid
CAS No.:1577-28-2
Molecular Formula:C6H10 O2
Molecular Weight:114.144
Hs Code.:2916190090
UNII:8Q89Q680RA
ChEMBL ID:CHEMBL2252748
Metabolomics Workbench ID:1131
Nikkaji Number:J98.003J
Wikidata:Q27270895
Mol file:1577-28-2.mol

Synonyms:(Z)-Hex-2-enoic acid;(Z)-2-Hexenoic acid;1577-28-2;2-Hexenoic acid, (2Z)-;2Z-Hexenoic acid;(2Z)-hex-2-enoic acid;2-Hexenoic acid, (Z)-;cis-hex-2-enoic acid;8Q89Q680RA;C6:1n-4;UNII-8Q89Q680RA;(Z)-hexenoic acid;cis-2-hexenoic acid;(Z)-Hex-2-enoicacid;(2Z)-2-hexenoic acid;(2Z)-HEXENOIC ACID;SCHEMBL3504637;2-HEXENOIC ACID, CIS-;CHEMBL2252748;CHEBI:180387;NIONDZDPPYHYKY-PLNGDYQASA-N;LMFA01030791;AKOS015955912;VS-09457;CS-0337047;NS00082841;Q27270895

Suppliers and Price of (Z)-2-Hexenoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 7 raw suppliers

Chemical Property of (Z)-2-Hexenoic acid

Chemical Property:

Boiling Point:71-73 °C(Press: 0.2 Torr)
PKA:4.68±0.25(Predicted)
PSA：37.30000
Density:0.985±0.06 g/cm3(Predicted)
LogP:1.42730
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:114.068079557
Heavy Atom Count:8
Complexity:94.7

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC=CC(=O)O
Isomeric SMILES:CCC/C=C\C(=O)O

Technology Process of (Z)-2-Hexenoic acid

There total 1 articles about (Z)-2-Hexenoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 5927-18-4
trimethyl phosphonoacetate

: 123-72-8
butyraldehyde

: 1577-28-2
cis-2-hexenoic acid

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

Guidance literature:: With sodium hydroxide; sodium methylate; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; 1.) 6 h, r. t., DMF; 2.) 1.5 h, 80 grad C, water;
DOI:10.1021/jo00315a003

Reference yield:

: 1145-01-3
3,5-Diphenylpyrazole

: 1577-28-2
cis-2-hexenoic acid

: C₂₁H₂₀N₂O

Guidance literature:: 3,5-Diphenylpyrazole; With thionyl chloride; In dichloromethane; at 20 ℃; for 0.5h;

cis-2-hexenoic acid; for 1h;
DOI:10.1002/cjoc.202000432

Reference yield:

: 1577-28-2
cis-2-hexenoic acid

: C₃₆H₃₆N₂O₆

: C₂₈H₂₉NO₄

Guidance literature:: Multi-step reaction with 4 steps

1.1: oxalyl dichloride / dichloromethane / 2 h / 25 °C

2.1: n-butyllithium / hexane; tetrahydrofuran / 0.25 h / 25 °C / Inert atmosphere

2.2: 25 °C / Inert atmosphere

2.3: 24 h / 25 °C

3.1: C₂₈H₂₆F₆N₄S / toluene / 48 h / 45 °C

4.1: Quinine / benzene / 10 h / 25 °C / Molecular sieve

With n-butyllithium; oxalyl dichloride; C₂₈H₂₆F₆N₄S; Quinine; In tetrahydrofuran; hexane; dichloromethane; toluene; benzene; 2.1: |Wittig Olefination / 2.2: |Wittig Olefination / 4.1: |Michael Addition;
DOI:10.1002/anie.201701049