3-(4-(Benzoyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)-2-cyano-2-propenamide

Base Information

Chemical Name:3-(4-(Benzoyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)-2-cyano-2-propenamide
CAS No.:107788-04-5
Molecular Formula:C₂₆H₂₂N₂O₄S
Molecular Weight:458.538
Hs Code.:
Wikidata:Q76388871

Synonyms:3-(4-(Benzoyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)-2-cyano-2-propenamide;2-Propenamide, 3-(4-(benzoyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)-2-cyano-;107788-04-5;LS-123246

Suppliers and Price of 3-(4-(Benzoyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)-2-cyano-2-propenamide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of 3-(4-(Benzoyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)-2-cyano-2-propenamide

Chemical Property:

Vapor Pressure:1.75E-23mmHg at 25°C
Boiling Point:767.7°Cat760mmHg
Flash Point:418.1°C
Density:1.31g/cm³
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:458.13002836
Heavy Atom Count:33
Complexity:734

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC1=CC(=CC(=C1OC(=O)C2=CC=CC=C2)CSC3=CC=CC=C3)C=C(C#N)C(=O)N
Isomeric SMILES:CCOC1=CC(=CC(=C1OC(=O)C2=CC=CC=C2)CSC3=CC=CC=C3)/C=C(\C#N)/C(=O)N

Technology Process of 3-(4-(Benzoyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)-2-cyano-2-propenamide

There total 4 articles about 3-(4-(Benzoyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)-2-cyano-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: 93.8%

: 98-88-4
benzoyl chloride

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

: 107788-04-5
Benzoic acid 4-((E)-2-carbamoyl-2-cyano-vinyl)-2-ethoxy-6-phenylsulfanylmethyl-phenyl ester

Guidance literature:: In pyridine; for 2h; Ambient temperature;
DOI:10.1248/cpb.36.974

Reference yield:

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

: 107788-04-5
Benzoic acid 4-((E)-2-carbamoyl-2-cyano-vinyl)-2-ethoxy-6-phenylsulfanylmethyl-phenyl ester

Guidance literature:: Multi-step reaction with 4 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

4: 93.8 percent / pyridine / 2 h / Ambient temperature

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

Reference yield:

: 90919-48-5
5-Chlormethyl-aethylvanillin

: 107788-04-5
Benzoic acid 4-((E)-2-carbamoyl-2-cyano-vinyl)-2-ethoxy-6-phenylsulfanylmethyl-phenyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: Et₃N / CHCl₃ / 2 h / Ambient temperature

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

3: 93.8 percent / pyridine / 2 h / Ambient temperature

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