METHYL 5-(4-METHYLSULFANYL-PHENYL)-1-(4-TRIFLUOROMETHYL-PHENYL)-1H-PYRAZOLE-3-CARBOXYLATE

Base Information

• Chemical Name: METHYL 5-(4-METHYLSULFANYL-PHENYL)-1-(4-TRIFLUOROMETHYL-PHENYL)-1H-PYRAZOLE-3-CARBOXYLATE
• CAS No.: 641639-55-6
• Molecular Formula: C19H15 F3 N2 O2 S
• Molecular Weight: 392.39
• Hs Code.: 2933199090
• Mol file: 641639-55-6.mol

Synonyms:Methyl5-(4-methylthiophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate

Chemical Property of METHYL 5-(4-METHYLSULFANYL-PHENYL)-1-(4-TRIFLUOROMETHYL-PHENYL)-1H-PYRAZOLE-3-CARBOXYLATE

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.579
• Boiling Point: 500.903°C at 760 mmHg
• Flash Point: 256.737°C
• PSA: 69.42000
• Density: 1.313g/cm³
• LogP: 5.06660

Purity/Quality:

98%min ^*data from raw suppliers

Methyl 5-[4-(methylsulfanyl)phenyl]-1-[4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of METHYL 5-(4-METHYLSULFANYL-PHENYL)-1-(4-TRIFLUOROMETHYL-PHENYL)-1H-PYRAZOLE-3-CARBOXYLATE

There total 2 articles about METHYL 5-(4-METHYLSULFANYL-PHENYL)-1-(4-TRIFLUOROMETHYL-PHENYL)-1H-PYRAZOLE-3-CARBOXYLATE 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: 52.0%

4-(trifluoromethyl)phenylhydrazine hydrochloride (2923-56-0) + methyl (2Z)-2-hydroxy-4-(4-methylthiophenyl)-4-oxobut-2-enoate (346684-15-9) → methyl 5-(4-methylthiophenyl)-1-(4-(trifluoromethyl)phenyl)pyrazole-3-carboxylate (641639-55-6)

Guidance literature:

With acetic acid; at 70 ℃;

DOI:10.1021/jm030276s

Reference yield:

4-(Methylthio)acetophenone (1778-09-2) → methyl 5-(4-methylthiophenyl)-1-(4-(trifluoromethyl)phenyl)pyrazole-3-carboxylate (641639-55-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 79 percent / sodium methoxide / toluene / 2 h / 20 °C

2: 52 percent / acetic acid / 70 °C

With sodium methylate; acetic acid; In toluene;

DOI:10.1021/jm030276s

Reference yield: 83.0%

N,O-dimethylhydroxylamine*hydrochloride (6638-79-5) + methyl 5-(4-methylthiophenyl)-1-(4-(trifluoromethyl)phenyl)pyrazole-3-carboxylate (641639-55-6) → N-methoxy-N-methyl(5-(4-methylthiophenyl)-1-(4-(trifluoromethyl)phenyl)pyrazol-3-yl)carboxamide (641639-56-7)

Guidance literature:

N,O-dimethylhydroxylamine*hydrochloride; With trimethylaluminum; In hexane; dichloromethane; at 0 - 20 ℃;

methyl 5-(4-methylthiophenyl)-1-(4-(trifluoromethyl)phenyl)pyrazole-3-carboxylate; In hexane; dichloromethane; at 20 ℃;

DOI:10.1021/jm030276s

upstream raw materials:

4-(trifluoromethyl)phenylhydrazine hydrochloride

methyl (2Z)-2-hydroxy-4-(4-methylthiophenyl)-4-oxobut-2-enoate

4-(Methylthio)acetophenone

Downstream raw materials:

N-methoxy-N-methyl(5-(4-methylthiophenyl)-1-(4-(trifluoromethyl)phenyl)pyrazol-3-yl)carboxamide

4-hydroxy-1-[5-(4-methanesulfonyl-phenyl)-1-(4-trifluoromethyl-phenyl)-1H-pyrazol-3-yl]-butan-1-one

1-(5-(4-methylthiophenyl)-1-(4-(trifluoromethyl)phenyl)pyrazol-3-yl)-4-(1,1,2,2-tetramethyl-1-silapropoxy)butan-1-one

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