4-bromo-1-phenyl-5-(trifluoromethyl)-1H-pyrazole

Base Information

• Chemical Name: 4-bromo-1-phenyl-5-(trifluoromethyl)-1H-pyrazole
• CAS No.: 497833-01-9
• Molecular Formula: C10H6BrF3N2
• Molecular Weight: 291.07
• European Community (EC) Number: 870-781-8
• Nikkaji Number: J1.803.145K
• Mol file: 497833-01-9.mol

Synonyms:4-bromo-1-phenyl-5-(trifluoromethyl)-1H-pyrazole;497833-01-9;4-bromo-1-phenyl-5-(trifluoromethyl)pyrazole;BBNIPZYHEDWGPH-UHFFFAOYSA-N;AKOS005766177;EN300-49506;1H-Pyrazole, 4-bromo-1-phenyl-5-(trifluoromethyl)-

Chemical Property of 4-bromo-1-phenyl-5-(trifluoromethyl)-1H-pyrazole

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 289.96665
• Heavy Atom Count: 16
• Complexity: 241

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C(=C(C=N2)Br)C(F)(F)F

Technology Process of 4-bromo-1-phenyl-5-(trifluoromethyl)-1H-pyrazole

There total 4 articles about 4-bromo-1-phenyl-5-(trifluoromethyl)-1H-pyrazole 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: 65.0%

phenylhydrazine (100-63-0) + (Z)-3-bromo-4-ethoxy-1,1,1-trifluoro-3-buten-2-one (341527-27-3) → 4-bromo-1-phenyl-5-trifluoromethyl-1H-pyrazole (497833-01-9)

Guidance literature:

With acetic acid; at 20 ℃;

DOI:10.1007/s11172-006-0233-z

Reference yield: 52.0%

1,2-dibromo-1,1,2,2-tetrafluoroethane (124-73-2) + 1-phenyl-5-trifluoromethyl-1H-pyrazole (333363-79-4) → 4-bromo-1-phenyl-5-trifluoromethyl-1H-pyrazole (497833-01-9)

Guidance literature:

1-phenyl-5-trifluoromethyl-1H-pyrazole; With n-butyllithium; N,N,N',N'',N'''-pentamethyldiethylenetriamine; diisopropylamine; In tetrahydrofuran; hexane; at -75 ℃; for 0.0833333h;

1,2-dibromo-1,1,2,2-tetrafluoroethane; Further stages.;

DOI:10.1002/1099-0690(200209)2002:17<2913::AID-EJOC2913>3.0.CO;2-D

Reference yield: 34.0%

phenylhydrazine (100-63-0) + 3-bromo-4-ethoxy-1,1,1-trifluoro-3-buten-2-one → 4-bromo-1-phenyl-5-trifluoromethyl-1H-pyrazole (497833-01-9)

Guidance literature:

With acetic acid; at 20 - 25 ℃; for 24h;

DOI:10.1039/c7ra07960e

upstream raw materials:

1,2-dibromo-1,1,2,2-tetrafluoroethane

1-phenyl-5-trifluoromethyl-1H-pyrazole

phenylhydrazine

(Z)-3-bromo-4-ethoxy-1,1,1-trifluoro-3-buten-2-one

Downstream raw materials:

4-bromo-1-phenyl-5-trifluoromethyl-3-pyrazolecarboxylic acid