Hdggdivulhqolf-uhfffaoysa-N

Base Information

• Chemical Name: Hdggdivulhqolf-uhfffaoysa-N
• CAS No.: 209960-87-2
• Molecular Formula: C₂₅H₁₆F₄N₄O₃S
• Molecular Weight: 528.487
• DSSTox Substance ID: DTXSID901106270

Synonyms:HDGGDIVULHQOLF-UHFFFAOYSA-N;DTXSID901106270;1-(3-Cyanophenyl)-N-[3-fluoro-2'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide;2-(3-cyanophenyl)-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide;209960-87-2

Chemical Property of Hdggdivulhqolf-uhfffaoysa-N

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 528.08792421
• Heavy Atom Count: 37
• Complexity: 979

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)C#N)C(F)(F)F)F

Technology Process of Hdggdivulhqolf-uhfffaoysa-N

There total 7 articles about Hdggdivulhqolf-uhfffaoysa-N 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: 90.0%

[(2'-methylsulfonyl)-3-fluoro-[1,1']-biphen-4-yl]amine + 1-(3-cyanophenyl)-3-trifluoromethylpyrazole-5-carboxylic acid (209917-93-1) → 2-(3-cyano-phenyl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid (3-fluoro-2'-methanesulfonyl-biphenyl-4-yl)-amide (209960-87-2)

Guidance literature:

With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In dichloromethane;

DOI:10.1016/j.bmcl.2008.06.026

Reference yield:

C25H16F4N4OS (335275-88-2) → 2-(3-cyano-phenyl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid (3-fluoro-2'-methanesulfonyl-biphenyl-4-yl)-amide (209960-87-2)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 ℃;

Reference yield:

[(2'-methylsulfonyl)-3-fluoro-[1,1']-biphen-4-yl]amine + N-(3-cyanophenyl)-3-trifluoromethyl-pyrazole-5-carboxylic acid chloride → 2-(3-cyano-phenyl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid (3-fluoro-2'-methanesulfonyl-biphenyl-4-yl)-amide (209960-87-2)

Guidance literature:

With dmap; In dichloromethane; at 20 ℃;

DOI:10.1021/jm000409z

upstream raw materials:

1,1,1-Trifluoro-2,4-pentanedione

3-bromophenylhydrazine hydrochloride

3-(5-(hydroxymethyl)-3-(trifluoromethyl )-1H-pyrazol-1-yl)benzonitrile

1-(3-cyanophenyl)-3-trifluoromethylpyrazole-5-carboxylic acid

Downstream raw materials:

1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

C₂₆H₁₈F₄N₆O₄S

C₂₆H₁₈F₄N₆O₃S₂

C₂₆H₁₉F₄N₇O₃S

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