trans-2-Hexenoyl-CoA

Base Information

Chemical Name:trans-2-Hexenoyl-CoA
CAS No.:10018-93-6
Molecular Formula:C₂₇H₄₄N₇O₁₇P₃S
Molecular Weight:863.67
Hs Code.:
Nikkaji Number:J2.755.178E
Mol file:10018-93-6.mol

Synonyms:trans-2-Hexenoyl-CoA;SCHEMBL21978091;(2E)-Hexenoyl-CoA;(Acyl-CoA);[M+H]+

Suppliers and Price of trans-2-Hexenoyl-CoA

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 5 raw suppliers

Chemical Property of trans-2-Hexenoyl-CoA

Chemical Property:

PSA：418.36000
LogP:1.38400
XLogP3:-3.8
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:22
Rotatable Bond Count:23
Exact Mass:863.17272513
Heavy Atom Count:55
Complexity:1490

Purity/Quality:: 98%,99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
Isomeric SMILES:CCC/C=C/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O

Technology Process of trans-2-Hexenoyl-CoA

There total 13 articles about trans-2-Hexenoyl-CoA 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: 71.0%

: 85-61-0
coenzyme A

: S-phenyl (E)-hex-2-enethioate

: 6701-39-9,10018-93-6
(2E)-hexenoyl-coenzyme A

Guidance literature:: With sodium hydrogencarbonate; sodium hydroxide; In tetrahydrofuran; at 0 - 4 ℃; pH=8;
DOI:10.1074/jbc.M115.677195

Reference yield:

: 5060-32-2,21708-76-9
S-hexanoyl-coenzyme-A

: 6701-39-9,10018-93-6
(2E)-hexenoyl-coenzyme A

Guidance literature:: With ferrocenium hexafluorophosphate; short chain acyl-CoA dehydrogenase PP₂₂₁₆ from Pseudomonas putida KT₂₄₄₀; In aq. phosphate buffer; at 25 ℃; for 2h; pH=7.2; Enzymatic reaction;
DOI:10.1021/jacs.9b09187

Reference yield:

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

: 6701-39-9,10018-93-6
(2E)-hexenoyl-coenzyme A

Guidance literature:: Multi-step reaction with 2 steps

1.1: triethylamine / dichloromethane / 0.5 h / 20 °C

1.2: 2 h / 4 °C / Inert atmosphere

2.1: potassium hydrogencarbonate / N,N-dimethyl-formamide / 0.17 h / 20 °C

With potassium hydrogencarbonate; triethylamine; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/bi300879n