3-[4-(Trifluoromethyl)phenyl]-1H-pyrazole

Base Information

• Chemical Name: 3-[4-(Trifluoromethyl)phenyl]-1H-pyrazole
• CAS No.: 859199-06-7
• Molecular Formula: C₇H₇BrOS
• Molecular Weight: 219.102
• Hs Code.: 2934999090
• Mol file: 859199-06-7.mol

Synonyms:2-Acetyl-5-bromo-4-methylthiophene;

Chemical Property of 3-[4-(Trifluoromethyl)phenyl]-1H-pyrazole

Chemical Property:

• Melting Point: 63-67 °C
• Refractive Index: 1.574
• Boiling Point: 298.696 °C at 760 mmHg
• Flash Point: 134.447 °C
• PSA: 45.31000
• Density: 1.533
• LogP: 3.02160
• Storage Temp.: Keep in dark place,Sealed in dry,Store in freezer, under -20°C

Purity/Quality:

99.3% ^*data from raw suppliers

1-(5-Bromo-4-methylthiophen-2-yl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-[4-(Trifluoromethyl)phenyl]-1H-pyrazole

There total 1 articles about 3-[4-(Trifluoromethyl)phenyl]-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: 97.0%

2-bromo-3-methylthiophene (14282-76-9) + acetyl chloride (75-36-5) → 1-(5-bromo-4-methylthiophen-2-yl)ethan-1-one (859199-06-7)

Guidance literature:

2-bromo-3-methylthiophene; With aluminum (III) chloride; In dichloromethane; at 0 ℃; for 0.166667h;

acetyl chloride; In dichloromethane; at 0 - 20 ℃; for 16h;

Reference yield:

1-(5-bromo-4-methylthiophen-2-yl)ethan-1-one (859199-06-7) + 1-(3,4,5-trichloro-phenyl)-2,2,2-trifluoro-ethanone (158401-00-4) → 1-(5-bromo-4-methyl-2-thienyl)-4,4,4-trifluoro-3-(3,4,5-trichlorophenyl)but-2-en-1-one (1613733-72-4)

Guidance literature:

1-(5-bromo-4-methylthiophen-2-yl)ethan-1-one; 1-(3,4,5-trichloro-phenyl)-2,2,2-trifluoro-ethanone; With triethylamine; In tert-butyl methyl ether; at 57 ℃; for 2h; Large scale;

With thionyl chloride; In tert-butyl methyl ether; at 5 - 40 ℃; for 3h; Large scale;

Reference yield:

1-(5-bromo-4-methylthiophen-2-yl)ethan-1-one (859199-06-7) → (S)-5-[5-(3,4,5-trichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-3-methyl-thiophene-2-carboxylic acid [(2,2,2-trifluoro-ethylcarbamoyl)-methyl]-amide (1369852-71-0)

Guidance literature:

Multi-step reaction with 5 steps

1.1: triethylamine / tert-butyl methyl ether / 2 h / 57 °C / Large scale

1.2: 3 h / 5 - 40 °C / Large scale

2.1: sodium hydroxide; hydroxylamine hydrochloride / ethanol; water / 5 h / 5 °C / Large scale

3.1: ethylmagnesium chloride / tetrahydrofuran / 0.5 h / 20 °C / Large scale

4.1: water; iso-butanol; acetonitrile / 2 h / 20 - 60 °C / Resolution of racemate; Large scale

5.1: hydrogenchloride / water / 60 °C / Large scale

5.2: 94 h / 110 °C / Large scale

5.3: 5 h / Large scale

With hydrogenchloride; hydroxylamine hydrochloride; ethylmagnesium chloride; triethylamine; sodium hydroxide; In tetrahydrofuran; ethanol; tert-butyl methyl ether; water; acetonitrile; iso-butanol;

upstream raw materials:

2-bromo-3-methylthiophene

acetyl chloride

Downstream raw materials:

C₁₆H₉Cl₃F₃NO₃S

(S)-5-[5-(3,4,5-trichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-3-methyl-thiophene-2-carboxylic acid [(2,2,2-trifluoro-ethylcarbamoyl)-methyl]-amide

C₁₅H₈BrCl₃F₃NOS

1-(5-bromo-4-methyl-2-thienyl)-4,4,4-trifluoro-3-(3,4,5-trichlorophenyl)but-2-en-1-one

Refernces

• 1、 -. "5-ARYL ISOXAZOLINES FOR CONTROLLING PESTS". Page/Page column 32. . Retrieved 2012/01/06.
• 2、 -. "HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES". Page/Page column 50-51. . Retrieved 2009/03/07.