3,5-Bis(trifluoromethyl)-1-phenylpyrazole

Base Information

• Chemical Name: 3,5-Bis(trifluoromethyl)-1-phenylpyrazole
• CAS No.: 140647-19-4
• Molecular Formula: C11H6 F6 N2
• Molecular Weight: 280.17
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID40371185
• Wikidata: Q82158446
• Mol file: 140647-19-4.mol

Synonyms:140647-19-4;3,5-Bis(trifluoromethyl)-1-phenylpyrazole;1-phenyl-3,5-bis(trifluoromethyl)pyrazole;1-Phenyl-3,5-bis(trifluoromethyl)-1H-pyrazole;MFCD00153671;3,5-BIS(TRIFLUOROMETHYL)-1-(PHENYL)PYRAZOLE;SCHEMBL7570850;DTXSID40371185;AMY38339;AKOS016015967;PS-7236;CS-0446088;FT-0614443;A807675

Chemical Property of 3,5-Bis(trifluoromethyl)-1-phenylpyrazole

Chemical Property:

• Vapor Pressure: 0.075mmHg at 25°C
• Refractive Index: 1.508
• Boiling Point: 220.8°C at 760 mmHg
• Flash Point: 87.3°C
• PSA: 17.82000
• Density: 1.346g/cm³
• LogP: 3.90990
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 280.04351717
• Heavy Atom Count: 19
• Complexity: 307

Purity/Quality:

98%min ^*data from raw suppliers

3,5-Bis(trifluoromethyl)-1-phenylpyrazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,5-Bis(trifluoromethyl)-1-phenylpyrazole

There total 1 articles about 3,5-Bis(trifluoromethyl)-1-phenylpyrazole 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: 87.0%

1,1,1,5,5,5-hexafluoroacetylacetone (1522-22-1) + phenylhydrazine (100-63-0) → 1-phenyl-3,5-bis(trifluoromethyl)-1H-pyrazole (140647-19-4)

Guidance literature:

With sulfuric acid; In ethanol;

DOI:10.1016/S0022-1139(02)00221-X

Reference yield: 74.0%

bromobenzene (108-86-1,52753-63-6) + 1-phenyl-3,5-bis(trifluoromethyl)-1H-pyrazole (140647-19-4) → 3-benzyl-1-phenyl-5-(trifluoromethyl)-1H-pyrazole

Guidance literature:

With triethylsilane; fluorotris(pentafluorophenyl)phosphonium tetrakis(pentafluorophenyl)borate; tris(pentafluorophenyl)borate; at 80 ℃; for 48h; Inert atmosphere; Schlenk technique; Glovebox;

DOI:10.1002/anie.201510494

Reference yield:

chloro-trimethyl-silane (75-77-4) + 1-phenyl-3,5-bis(trifluoromethyl)-1H-pyrazole (140647-19-4) → 1-Phenyl-3,5-bis-trifluoromethyl-4-trimethylsilanyl-1H-pyrazole (140647-20-7)

Guidance literature:

With n-butyllithium; Yield given. Multistep reaction; 1.) THF, 0 deg C, 0.5 h, 2.) THF;

DOI:10.1246/cl.1992.357

upstream raw materials:

1,1,1,5,5,5-hexafluoroacetylacetone

phenylhydrazine

Downstream raw materials:

1-Phenyl-3,5-bis-trifluoromethyl-4-trimethylsilanyl-1H-pyrazole

Refernces