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

Base Information

Chemical Name:2-Cyano-3-(3-ethoxy-4-hydroxy-5-((phenylthio)methyl)phenyl)-2-propenamide
CAS No.:107761-24-0
Molecular Formula:C19H18 N2 O3 S
Molecular Weight:354.43
Hs Code.:2930909090
European Community (EC) Number:634-605-1
UNII:6X89Y2007R
Nikkaji Number:J394.323B
Wikidata:Q27265667
NCI Thesaurus Code:C1235
ChEMBL ID:CHEMBL485070
Mol file:107761-24-0.mol

Synonyms:alpha-cyano-3-ethoxy-4-hydroxy-5-phenylmethylcinnamamide;ST 638;ST-638

Suppliers and Price of 2-Cyano-3-(3-ethoxy-4-hydroxy-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

TRC
ST638
10mg
$ 165.00

Sigma-Aldrich
ST638 ≥98% (HPLC), solid
5mg
$ 226.00

Cayman Chemical
ST638 ≥98%
5mg
$ 135.00

Cayman Chemical
ST638 ≥98%
1mg
$ 30.00

Cayman Chemical
ST638 ≥98%
10mg
$ 240.00

Cayman Chemical
ST638 ≥98%
25mg
$ 525.00

ApexBio Technology
ST638
25mg
$ 728.00

ApexBio Technology
ST638
10mg
$ 333.00

ApexBio Technology
ST638
5mg
$ 187.00

American Custom Chemicals Corporation
ST-638 95.00%
1MG
$ 144.90

Total 3 raw suppliers

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

Chemical Property:

Vapor Pressure:1.56E-15mmHg at 25°C
Melting Point:134-135.5 °C
Boiling Point:611.2°Cat760mmHg
PKA:8.79±0.50(Predicted)
Flash Point:323.5°C
PSA：121.64000
Density:1.32g/cm³
LogP:4.17578
Storage Temp.:−20°C
Solubility.:DMSO: 19 mg/mL
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:354.10381361
Heavy Atom Count:25
Complexity:522

Purity/Quality:

≥98% ^*data from raw suppliers

ST638 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CCOC1=CC(=CC(=C1O)CSC2=CC=CC=C2)C=C(C#N)C(=O)N
Isomeric SMILES:CCOC1=CC(=CC(=C1O)CSC2=CC=CC=C2)/C=C(\C#N)/C(=O)N
Uses ST638 is a protein tyrosine kinase inhibitor and PLD inhibitor.

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

There total 3 articles about 2-Cyano-3-(3-ethoxy-4-hydroxy-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: 83.9%

: 93434-81-2
3-ethoxy-4-hydroxy-5-phenylthiomethylbenzaldehyde

: 107-91-5
cyanoacetic acid amide

: 107761-24-0
(E)-2-Cyano-3-(3-ethoxy-4-hydroxy-5-phenylsulfanylmethyl-phenyl)-acrylamide

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

Reference yield:

: 121-32-4
4-hydroxy-3-ethoxybenzaldehyde

: 107761-24-0
(E)-2-Cyano-3-(3-ethoxy-4-hydroxy-5-phenylsulfanylmethyl-phenyl)-acrylamide

Guidance literature:: Multi-step reaction with 3 steps

1: SnCl₄ / 2 h / Ambient temperature

2: Et₃N / CHCl₃ / 2 h / Ambient temperature

3: 83.9 percent / piperidine, acetic acid / benzene / 5 h / Heating

With piperidine; tin(IV) chloride; acetic acid; triethylamine; In chloroform; benzene;
DOI:10.1248/cpb.36.974

Reference yield:

: 90919-48-5
5-Chlormethyl-aethylvanillin

: 107761-24-0
(E)-2-Cyano-3-(3-ethoxy-4-hydroxy-5-phenylsulfanylmethyl-phenyl)-acrylamide

Guidance literature:: Multi-step reaction with 2 steps

1: Et₃N / CHCl₃ / 2 h / Ambient temperature

2: 83.9 percent / piperidine, acetic acid / benzene / 5 h / Heating

With piperidine; acetic acid; triethylamine; In chloroform; benzene;
DOI:10.1248/cpb.36.974