N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[[4-(methylthio)phenyl]thio]propanamide

Base Information

Chemical Name:N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[[4-(methylthio)phenyl]thio]propanamide
CAS No.:90356-79-9
Molecular Formula:C₁₉H₁₇F₃N₂O₂S₂
Molecular Weight:426.483
Hs Code.:
ChEMBL ID:CHEMBL177017
DSSTox Substance ID:DTXSID901115366

Synonyms:CHEMBL177017;DTXSID901115366;90356-79-9;N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[[4-(methylthio)phenyl]thio]propanamide

Suppliers and Price of N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[[4-(methylthio)phenyl]thio]propanamide

Supply Marketing:

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

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Chemical Property of N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[[4-(methylthio)phenyl]thio]propanamide

Chemical Property:

XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:426.06835462
Heavy Atom Count:28
Complexity:588

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(CSC1=CC=C(C=C1)SC)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O

Technology Process of N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[[4-(methylthio)phenyl]thio]propanamide

There total 3 articles about N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[[4-(methylthio)phenyl]thio]propanamide 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:

: 90357-53-2
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylacrylamide

: 90356-79-9
N-(4-Cyano-3-trifluoromethyl-phenyl)-2-hydroxy-2-methyl-3-(4-methylsulfanyl-phenylsulfanyl)-propionamide

Guidance literature:: Multi-step reaction with 2 steps

1: m-chloroperbenzoic acid, 2,6-di-tert-butyl-4-methylphenol / 1,1,1-trichloro-ethane / 6 h / Heating

2: 1.) NaH / 1.) THF, 0 deg C, 15 min, 2.) room temperature, 16 h

With 2,6-di-tert-butyl-4-methyl-phenol; sodium hydride; 3-chloro-benzenecarboperoxoic acid; In 1,1,1-trichloroethane;
DOI:10.1021/jm00400a011

Reference yield:

: 654-70-6
4-amino-2-trifluoromethylbenzonitrile

: 90356-79-9
N-(4-Cyano-3-trifluoromethyl-phenyl)-2-hydroxy-2-methyl-3-(4-methylsulfanyl-phenylsulfanyl)-propionamide

Guidance literature:: Multi-step reaction with 3 steps

1: N,N-dimethylacetamide / 4 h / Ambient temperature

2: m-chloroperbenzoic acid, 2,6-di-tert-butyl-4-methylphenol / 1,1,1-trichloro-ethane / 6 h / Heating

3: 1.) NaH / 1.) THF, 0 deg C, 15 min, 2.) room temperature, 16 h

With N,N-dimethyl acetamide; 2,6-di-tert-butyl-4-methyl-phenol; sodium hydride; 3-chloro-benzenecarboperoxoic acid; In 1,1,1-trichloroethane;
DOI:10.1021/jm00400a011