(S)-3-Methyl-5-trifluoromethyl-3,4-dihydro-2H-pyrazole-3-carboxylic acid N-(4-cyano-3-trifluoromethylphenyl)amide

Base Information

Chemical Name:(S)-3-Methyl-5-trifluoromethyl-3,4-dihydro-2H-pyrazole-3-carboxylic acid N-(4-cyano-3-trifluoromethylphenyl)amide
CAS No.:888072-47-7
Molecular Formula:C₁₄H₁₀F₆N₄O
Molecular Weight:364.25
Hs Code.:
UNII:544SF265DA
ChEMBL ID:CHEMBL242469
DSSTox Substance ID:DTXSID201336525
Metabolomics Workbench ID:154676
Wikidata:Q27261163
Wikipedia:JNJ-28330835

Synonyms:JNJ-28330835

Suppliers and Price of (S)-3-Methyl-5-trifluoromethyl-3,4-dihydro-2H-pyrazole-3-carboxylic acid N-(4-cyano-3-trifluoromethylphenyl)amide

Supply Marketing:

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

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Chemical Property of (S)-3-Methyl-5-trifluoromethyl-3,4-dihydro-2H-pyrazole-3-carboxylic acid N-(4-cyano-3-trifluoromethylphenyl)amide

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:2
Exact Mass:364.07587993
Heavy Atom Count:25
Complexity:619

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1(CC(=NN1)C(F)(F)F)C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F
Isomeric SMILES:C[C@]1(CC(=NN1)C(F)(F)F)C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F

Technology Process of (S)-3-Methyl-5-trifluoromethyl-3,4-dihydro-2H-pyrazole-3-carboxylic acid N-(4-cyano-3-trifluoromethylphenyl)amide

There total 4 articles about (S)-3-Methyl-5-trifluoromethyl-3,4-dihydro-2H-pyrazole-3-carboxylic acid N-(4-cyano-3-trifluoromethylphenyl)amide 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

: 888072-47-7
(S)-3-methyl-5-trifluoromethyl-3,4-dihydro-2H-pyrazole-3-carboxylic acid (4-cyano-3-trifluoromethyl-phenyl)-amide

Guidance literature:: Multi-step reaction with 2 steps

1.1: NaH / tetrahydrofuran / 0.33 h / 0 °C

1.2: tetrahydrofuran / 55 °C

2.1: enantiomers separation on ChiralPak AD

With sodium hydride; In tetrahydrofuran;
DOI:10.1021/jm0613976