2-Phenyl-5-trifluoromethyl-2H-pyrazol-3-ol

Base Information

• Chemical Name: 2-Phenyl-5-trifluoromethyl-2H-pyrazol-3-ol
• CAS No.: 96145-98-1
• Molecular Formula: C10H7F3N2O
• Molecular Weight: 228.174
• Hs Code.: 2933199090
• European Community (EC) Number: 675-346-4
• DSSTox Substance ID: DTXSID60358397
• Nikkaji Number: J842.504C
• Mol file: 96145-98-1.mol

Synonyms:1-phenyl-3-trifluoromethyl-5-hydroxypyrazole;1-phenyl-3FMeHP;PTMHP cpd

Chemical Property of 2-Phenyl-5-trifluoromethyl-2H-pyrazol-3-ol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.543
• Boiling Point: 318.4 °C at 760mmHg
• Flash Point: 146.4 °C
• PSA: 38.05000
• Density: 1.39 g/cm³
• LogP: 2.59670
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 228.05104734
• Heavy Atom Count: 16
• Complexity: 319

Purity/Quality:

97% ^*data from raw suppliers

5-Hydroxy-1-phenyl-3-trifluoromethylpyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C(=O)C=C(N2)C(F)(F)F
• Uses: 5-Hydroxy-1-phenyl-3-trifluoromethylpyrazole is used in the preparation 5-((1H-Pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one, an inhibitor of ADAMTS-5.

Technology Process of 2-Phenyl-5-trifluoromethyl-2H-pyrazol-3-ol

There total 9 articles about 2-Phenyl-5-trifluoromethyl-2H-pyrazol-3-ol 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: 98.0%

phenylhydrazine (100-63-0) + ethyl 4,4,4-trifluoroacetoacetate (372-31-6) → 1-phenyl-3-trifluoromethyl-5-hydroxypyrazole (96145-98-1)

Guidance literature:

With acetic acid; at 10 - 80 ℃; for 6.5h;

Reference yield: 86.0%

phenylhydrazine hydrochloride (59-88-1) + ethyl 4,4,4-trifluoroacetoacetate (372-31-6) → 1-phenyl-3-trifluoromethyl-5-hydroxypyrazole (96145-98-1)

Guidance literature:

In ethanol; for 8h; Reflux;

DOI:10.1002/jhet.3816

Reference yield: 73.1%

(N-((2-chloro-3,5-di(trifluoromethyl)phenyl)amino)carbonyl)(2,6-difluorophenyl)formamide (122431-24-7) → 1-phenyl-3-trifluoromethyl-5-hydroxypyrazole (96145-98-1)

Guidance literature:

With sodium hydroxide; In water; acetone; for 5h; Heating;

DOI:10.1002/(SICI)1096-9063(1998110)54:3<237::AID-PS817>3.0.CO;2-B

upstream raw materials:

phenylhydrazine hydrochloride

methyl 4,4,4-trifluoroacetoacetate

phenylhydrazine

(N-((2-chloro-3,5-di(trifluoromethyl)phenyl)amino)carbonyl)(2,6-difluorophenyl)formamide

Downstream raw materials:

(S)-3-Benzyloxycarbonylamino-4-oxo-5-(2-phenyl-5-trifluoromethyl-2H-pyrazol-3-yloxy)-pentanoic acid tert-butyl ester

3-{3-methyl-2-[2-(naphthalen-1-yloxy)-acetylamino]-butyrylamino}-4-oxo-5-(2-phenyl-5-trifluoromethyl-2H-pyrazol-3-yloxy)-pentanoic acid tert-butyl ester