3-O-ethylentacapone

Base Information

Chemical Name:3-O-ethylentacapone
CAS No.:857629-79-9
Molecular Formula:C₁₆H₁₉N₃O₅
Molecular Weight:333.344
Hs Code.:
European Community (EC) Number:688-081-4
UNII:8KYH8530PC
DSSTox Substance ID:DTXSID60235058
Metabolomics Workbench ID:56960
Wikidata:Q21546984
Mol file:857629-79-9.mol

Synonyms:3-O-ethylentacapone;857629-79-9;UNII-8KYH8530PC;8KYH8530PC;(2E)-2-cyano-3-(3-ethoxy-4-hydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide;(2E)-2-Cyano-3-(3-ethoxy-4-hydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide;N,N-diethyl-2-cyano-3-(3-ethoxy-4-hydroxy-5-nitrophenyl)acrylamide;(E)-2-cyano-3-(3-ethoxy-4-hydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide;Entacapone EP Impurity D;SCHEMBL4855680;CHEBI:48380;DTXSID60235058;ENTACAPONE IMPURITY D [EP IMPURITY];Q21546984;(E)-2-Cyano-3-(3-ethoxy-4-hydroxy-5-nitrophenyl)-N,N-diethylacrylamide;2-PROPENAMIDE, 2-CYANO-3-(3-ETHOXY-4-HYDROXY-5-NITROPHENYL)-N,N-DIETHYL-, (2E)-;(2E)-2-Cyano-3-(3-ethoxy-4-hydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide;Entacapone Imp. D (EP);Entacapone Impurity D

Suppliers and Price of 3-O-ethylentacapone

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

TRC
(2E)-2-Cyano-3-(3-ethoxy-4-hydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide
250mg
$ 840.00

Total 7 raw suppliers

Chemical Property of 3-O-ethylentacapone

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:333.13247072
Heavy Atom Count:24
Complexity:530

Purity/Quality:

> 95% ^*data from raw suppliers

(2E)-2-Cyano-3-(3-ethoxy-4-hydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)OCC)O)[N+](=O)[O-])C#N
Isomeric SMILES:CCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)OCC)O)[N+](=O)[O-])/C#N
Uses (2E)-2-Cyano-3-(3-ethoxy-4-hydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide is an impurity of Entacapone (E558500), a peripherally acting inhibitor of catechol-O-methyl transferase (COMT), an enzyme involved in the metabolism of catecholamine neurotransmitters and related drugs. Antiparkinsonian.

Technology Process of 3-O-ethylentacapone

There total 1 articles about 3-O-ethylentacapone 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: