2-Cyano-3-(4-hydroxy-3-methoxy-5-((phenylthio)methyl)phenyl)-2-propenamide

Base Information

Chemical Name:2-Cyano-3-(4-hydroxy-3-methoxy-5-((phenylthio)methyl)phenyl)-2-propenamide
CAS No.:107788-00-1
Molecular Formula:C18H16 N2 O3 S
Molecular Weight:340.3962
Hs Code.:
Nikkaji Number:J1.541.157K,J577.875A
Wikidata:Q76388863
ChEMBL ID:CHEMBL116595
Mol file:107788-00-1.mol

Synonyms:CHEMBL116595;2-Cyano-3-(4-hydroxy-3-methoxy-5-((phenylthio)methyl)phenyl)-2-propenamide;2-Propenamide, 2-cyano-3-(4-hydroxy-3-methoxy-5-((phenylthio)methyl)phenyl)-;107788-00-1;Tyrphostin AG 658;BDBM50036694;Tyrphostin AG 658, >=98%, solid;PD039421;LS-123340;alpha-Cyano-3-methoxy-4-hydroxy-5-(phenylthiomethyl)cinnamamide;2-cyano-3-(4-hydroxy-3-methoxy-5-(phenylthiomethyl)phenyl)acrylamide;2-Cyano-3-(4-hydroxy-3-methoxy-5-phenylsulfanylmethyl-phenyl)-acrylamide;2-Cyano-3-[4-hydroxy-3-[(phenylthio)methyl]-5-methoxyphenyl]propenamide;(E)-2-Cyano-3-(4-hydroxy-3-methoxy-5-phenylsulfanylmethyl-phenyl)-acrylamide

Suppliers and Price of 2-Cyano-3-(4-hydroxy-3-methoxy-5-((phenylthio)methyl)phenyl)-2-propenamide

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 1 raw suppliers

Chemical Property of 2-Cyano-3-(4-hydroxy-3-methoxy-5-((phenylthio)methyl)phenyl)-2-propenamide

Chemical Property:

Vapor Pressure:2.71E-15mmHg at 25°C
Boiling Point:606.3°Cat760mmHg
Flash Point:320.5°C
Density:1.35g/cm³
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:340.08816355
Heavy Atom Count:24
Complexity:508

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC(=CC(=C1O)CSC2=CC=CC=C2)C=C(C#N)C(=O)N
Isomeric SMILES:COC1=CC(=CC(=C1O)CSC2=CC=CC=C2)/C=C(\C#N)/C(=O)N

Technology Process of 2-Cyano-3-(4-hydroxy-3-methoxy-5-((phenylthio)methyl)phenyl)-2-propenamide

There total 4 articles about 2-Cyano-3-(4-hydroxy-3-methoxy-5-((phenylthio)methyl)phenyl)-2-propenamide 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: 98.0%

: 115103-81-6
4-hydroxy-3-methoxy-5-phenylthiomethylbenzaldehyde

: 107-91-5
cyanoacetic acid amide

: 107788-00-1
AG 658

Guidance literature:: With piperidine; acetic acid; In benzene; for 5h; Heating;
DOI:10.1248/cpb.36.974

Reference yield:

: 28276-04-2
3-(chloromethyl)-4-hydroxy-5-methoxybenzaldehyde

: 107788-00-1
AG 658

Guidance literature:: Multi-step reaction with 2 steps

1: 20 percent / Et₃N / CH₂Cl₂ / 3 h / Ambient temperature

2: 72 percent / piperidine / ethanol / 3 h / Heating

With piperidine; triethylamine; In ethanol; dichloromethane;
DOI:10.1021/jm00075a010

Reference yield:

: 108-98-5
thiophenol

: 107788-00-1
AG 658

Guidance literature:: Multi-step reaction with 2 steps

1: 20 percent / Et₃N / CH₂Cl₂ / 3 h / Ambient temperature

2: 72 percent / piperidine / ethanol / 3 h / Heating

With piperidine; triethylamine; In ethanol; dichloromethane;
DOI:10.1021/jm00075a010