Ethyl 4-(4-chlorophenyl)-5-cyano-1,6-dihydro-2-phenyl-6-thioxo-3-pyridinecarboxylate

Base Information

Chemical Name:Ethyl 4-(4-chlorophenyl)-5-cyano-1,6-dihydro-2-phenyl-6-thioxo-3-pyridinecarboxylate
CAS No.:105199-63-1
Molecular Formula:C21H15ClN2O2S
Molecular Weight:394.881
Hs Code.:
DSSTox Substance ID:DTXSID501129400
Mol file:105199-63-1.mol

Synonyms:DTXSID501129400;Ethyl 4-(4-chlorophenyl)-5-cyano-1,6-dihydro-2-phenyl-6-thioxo-3-pyridinecarboxylate;105199-63-1

Suppliers and Price of Ethyl 4-(4-chlorophenyl)-5-cyano-1,6-dihydro-2-phenyl-6-thioxo-3-pyridinecarboxylate

Supply Marketing:

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

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Chemical Property of Ethyl 4-(4-chlorophenyl)-5-cyano-1,6-dihydro-2-phenyl-6-thioxo-3-pyridinecarboxylate

Chemical Property:

XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:394.0542766
Heavy Atom Count:27
Complexity:720

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=C(NC(=S)C(=C1C2=CC=C(C=C2)Cl)C#N)C3=CC=CC=C3

Technology Process of Ethyl 4-(4-chlorophenyl)-5-cyano-1,6-dihydro-2-phenyl-6-thioxo-3-pyridinecarboxylate

There total 5 articles about Ethyl 4-(4-chlorophenyl)-5-cyano-1,6-dihydro-2-phenyl-6-thioxo-3-pyridinecarboxylate 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: 45.0%

: 105199-58-4
2.2'-Bis(4-p-chlorophenyl-6-phenyl-5-ethoxycarbonyl-3-cyanopyridyl)-disulfide

: 105199-63-1
4-(4-Chloro-phenyl)-5-cyano-2-phenyl-6-thioxo-1,6-dihydro-pyridine-3-carboxylic acid ethyl ester

Guidance literature:: With 2-hydroxyethanethiol; In chloroform; Ambient temperature;

Reference yield: 22.0%

: 111564-16-0
C₂₁H₁₈ClN₂O₃S^(1-)*C₅H₁₁N*H⁽¹⁺⁾

: 105199-63-1
4-(4-Chloro-phenyl)-5-cyano-2-phenyl-6-thioxo-1,6-dihydro-pyridine-3-carboxylic acid ethyl ester

: 111564-20-6
C₄₂H₃₂Cl₂N₄O₄S₂

Guidance literature:: With oxygen; In ethanol; acetic acid;
DOI:10.1007/BF00475477

Reference yield:

: 105199-53-9
6-phenyl-4-(p-chlorophenyl)-5-ethoxycarbonyl-3-cyano-1,4-dihydropyridine-2(3H)-thione

: 105199-63-1
4-(4-Chloro-phenyl)-5-cyano-2-phenyl-6-thioxo-1,6-dihydro-pyridine-3-carboxylic acid ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 67 percent / nitrosylsulfuric acid / acetic acid / 1 h / 0 °C

2: 45 percent / 2-mercaptoethanol / CHCl₃ / Ambient temperature

With nitrosylsulfuric acid; 2-hydroxyethanethiol; In chloroform; acetic acid;