3-O-methylentacapone

Base Information

Chemical Name:3-O-methylentacapone
CAS No.:857629-78-8
Molecular Formula:C15H17N3O5
Molecular Weight:319.317
Hs Code.:
European Community (EC) Number:617-756-8
UNII:W9VF5G2UXT
DSSTox Substance ID:DTXSID30466312
Metabolomics Workbench ID:56961
Wikidata:Q27121175
Mol file:857629-78-8.mol

Synonyms:857629-78-8;3-O-methylentacapone;(E)-3-O-Methyl Entacapone;Entacapone 3-Methyl Ether;W9VF5G2UXT;(E)-2-cyano-N,N-diethyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide;UNII-W9VF5G2UXT;(E/Z)-3-O-Methyl Entacapone;(2E)-2-cyano-N,N-diethyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide;2-Propenamide, 2-cyano-N,N-diethyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-, (2E)-;N,N-diethyl-2-cyano-3-(-3-methoxy-4-hydroxy-5-nitrophenyl)acrylamide;146698-91-1;SCHEMBL1405285;CHEBI:48381;DTXSID30466312;MAZRYCCTAIVEQP-IZZDOVSWSA-N;Q27121175;(E)-2-Cyano-N,N-diethyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)acrylamide;(2e)-2-cyano-3-(3-methoxy-4-hydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide;N1,N1-diethyl-(E)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propenamide

Suppliers and Price of 3-O-methylentacapone

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
(E)-3-O-MethylEntacapone
100mg
$ 155.00

TRC
(E)-3-O-MethylEntacapone
1g
$ 1230.00

American Custom Chemicals Corporation
(E)-3-O-METHYL ENTACAPONE 95.00%
5MG
$ 499.31

Total 12 raw suppliers

Chemical Property of 3-O-methylentacapone

Chemical Property:

PSA：119.38000
LogP:2.60758
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:319.11682065
Heavy Atom Count:23
Complexity:515

Purity/Quality:

99% ^*data from raw suppliers

(E)-3-O-MethylEntacapone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)OC)O)[N+](=O)[O-])C#N
Isomeric SMILES:CCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)OC)O)[N+](=O)[O-])/C#N
Uses Entacapone impurity (E558500).

Technology Process of 3-O-methylentacapone

There total 8 articles about 3-O-methylentacapone 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: 95.0%