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

Base Information

Chemical Name:1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CAS No.:209957-47-1
Molecular Formula:C25H20F4N4O3S
Molecular Weight:532.518
Hs Code.:
UNII:XXQ8EQ9VMM
Nikkaji Number:J1.497.934D
Pharos Ligand ID:64AZFUB8A14S
ChEMBL ID:CHEMBL176140

Synonyms:1-(3-(aminomethyl)phenyl)-N-(3-fluoro-2'-(methylsulfonyl)(1,1'-biphenyl)-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide;DPC 423;DPC-423;DPC423

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

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
1-[3-(AMINOMETHYL)PHENYL]-N-[3-FLUORO-2'-(METHYLSULFONYL)-[1,1'-BIPHENYL]-4-YL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE 95.00%
5MG
$ 497.92

Total 1 raw suppliers

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

Chemical Property:

PSA：118.95000
LogP:6.97680
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:532.11922433
Heavy Atom Count:37
Complexity:899

Purity/Quality:: 1-[3-(AMINOMETHYL)PHENYL]-N-[3-FLUORO-2'-(METHYLSULFONYL)-[1,1'-BIPHENYL]-4-YL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

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

There total 1 articles about 1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide 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: 80.0%

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

: 209957-47-1
1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

Guidance literature:: With hydrogen; palladium; trifluoroacetic acid; In methanol;
DOI:10.1016/j.bmcl.2008.06.026

Reference yield: 14.0%

: 209957-47-1
1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

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

Guidance literature:: With pyridine-4-carbaldehyde; 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 16h;
DOI:10.1021/tx0101189

Reference yield: 12.0%

: 209957-47-1
1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

: 2-(3-hydroxymethyl-phenyl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid (3-fluoro-2'-methanesulfonyl-biphenyl-4-yl)-amide

Guidance literature:: 1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide; With trifluoroacetic anhydride; In pyridine; at 20 ℃; for 72h;

With acetic anhydride; sodium nitrite; In acetic acid; at 20 ℃; for 24h;

With lithium hydroxide; In methanol; for 3h;
DOI:10.1021/tx0101191