4-coumaroyl-CoA

Base Information

Chemical Name:4-coumaroyl-CoA
CAS No.:119785-99-8
Molecular Formula:C₃₀H₄₂N₇O₁₈P₃S
Molecular Weight:913.687
Hs Code.:
UNII:S9S49N6ER4
DSSTox Substance ID:DTXSID001028841
Nikkaji Number:J1.314.804J,J796.717I
Wikipedia:Coumaroyl-CoA
Wikidata:Q2998866
Metabolomics Workbench ID:50114
ChEMBL ID:CHEMBL250086
Mol file:119785-99-8.mol

Synonyms:4-coumaroyl-CoA;4-coumaroyl-coenzyme A;coenzyme A, 4-coumaroyl-

Suppliers and Price of 4-coumaroyl-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 32 raw suppliers

Chemical Property of 4-coumaroyl-CoA

Chemical Property:

Boiling Point:°Cat760mmHg
PKA:1.16±0.50(Predicted)
Flash Point:°C
PSA：445.57000
Density:1.8g/cm³
LogP:2.34550
XLogP3:-3.9
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:23
Rotatable Bond Count:22
Exact Mass:913.15198968
Heavy Atom Count:59
Complexity:1620

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C=CC4=CC=C(C=C4)O)O
Isomeric SMILES:CC(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)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/C4=CC=C(C=C4)O)O

Technology Process of 4-coumaroyl-CoA

There total 8 articles about 4-coumaroyl-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: 91.0%

: 7400-08-0,50940-26-6
p-Coumaric Acid

: 85-61-0
coenzyme A

: 30802-00-7,119785-99-8
4-coumaroyl-coenzyme A

Guidance literature:: With ATP; magnesium chloride; for 20h; pH=7.5; Enzymatic reaction;
DOI:10.1002/adsc.201900892

Reference yield: 46.0%

: 56254-00-3
-3 thiopropene-2 oate de S-phenyle

: 85-61-0
coenzyme A

: 30802-00-7,119785-99-8
4-coumaroyl-coenzyme A

Guidance literature:: With sodium hydrogencarbonate; In chloroform; acetone; at 4 ℃; for 20h;

Reference yield:

: 7400-08-0,50940-26-6
p-Coumaric Acid

: 30802-00-7,119785-99-8
hydroxycinnamoyl-S-CoA

Guidance literature:: Multi-step reaction with 2 steps

1: dicyclohexylcarbodiimid

2: NaHCO₃ / acetone; H₂O / 12 h

With sodium hydrogencarbonate; dicyclohexyl-carbodiimide; In water; acetone;
DOI:10.1016/0031-9422(91)84195-X