4-Heptenoic acid, ethyl ester, (E)-

Base Information

Chemical Name:4-Heptenoic acid, ethyl ester, (E)-
CAS No.:54340-70-4
Molecular Formula:C9H16O2
Molecular Weight:156.225
Hs Code.:2916190090
European Community (EC) Number:259-113-0
UNII:5OTH5WMU7R
DSSTox Substance ID:DTXSID401313975
Nikkaji Number:J2.214.284D,J100.813G
Wikidata:Q27262660
Mol file:54340-70-4.mol

Synonyms:Ethyl (E)-hept-4-enoate;54340-70-4;4-Heptenoic acid, ethyl ester, (E)-;Ethyl (4E)-4-heptenoate;Ethyl 4-heptenoate, (E)-;(E)-4-Heptenoic acid ethyl ester;Ethyl (E)-4-heptenoate;UNII-5OTH5WMU7R;5OTH5WMU7R;EINECS 259-113-0;(E)-ethyl 4-heptenoate;4-Heptenoic acid ethyl ester;SCHEMBL11467652;GITGIBUELGTBSG-AATRIKPKSA-N;DTXSID401313975;Q27262660

Suppliers and Price of 4-Heptenoic acid, ethyl ester, (E)-

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 6 raw suppliers

Chemical Property of 4-Heptenoic acid, ethyl ester, (E)-

Chemical Property:

Boiling Point:174℃
Flash Point:57℃
PSA：26.30000
Density:0.896
LogP:2.29590
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:156.115029749
Heavy Atom Count:11
Complexity:128

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 4-Heptenoic acid, ethyl ester, (E)-

There total 3 articles about 4-Heptenoic acid, ethyl ester, (E)- 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: 83.0%

: 616-25-1
1-Penten-3-ol

: 78-39-7
Triethyl orthoacetate

: 54340-70-4
ethyl (E)-4-heptenoic acid ester

Guidance literature:: With acetic acid; at 110 ℃; for 6h; stereoselective reaction;
DOI:10.1134/S1070363209060243

Reference yield:

: 10138-10-0
ethyl 4-oxobutanoate

: 14350-50-6
propyl(triphenyl)phosphonium iodide

: 54340-70-4
ethyl (E)-4-heptenoic acid ester

Guidance literature:: propyl(triphenyl)phosphonium iodide; With n-butyllithium; In tetrahydrofuran; hexanes; for 1h;

ethyl 4-oxobutanoate; In tetrahydrofuran; hexanes; at 21 ℃; for 5h;
DOI:10.1021/ol201378w

Reference yield:

: 2960-66-9,4628-68-6,4038-33-9
ethyl 4-oxo-2-butenoate

: 54340-70-4
ethyl (E)-4-heptenoic acid ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: 20 % Pd(OH)2/C; hydrogen / ethyl acetate / 9 h

2.1: n-butyllithium / tetrahydrofuran; hexanes / 1 h

2.2: 5 h / 21 °C

With n-butyllithium; 20 % Pd(OH)2/C; hydrogen; In tetrahydrofuran; hexanes; ethyl acetate;
DOI:10.1021/ol201378w