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Home > Encyclopedia > 2-Chloro-4-trifluoromethylbenzoic acid

2-Chloro-4-trifluoromethylbenzoic acid

2-Chloro-4-trifluoromethylbenzoic acid structure

2-Chloro-4-trifluoromethylbenzoic acid 

structure
  • CAS No:

    23228-45-7

  • Formula:

    C8H4ClF3O2

  • Chemical Name:

    2-Chloro-4-trifluoromethylbenzoic acid

  • Synonyms:

    2-chloro-4-(trifluoromethyl)benzoic acid;2-CHLORO-4-TRIFLUOROMETHYL BENZOIC ACID,98%;4-Carboxy-3-chlorobenzotrifluoride;BENZOIC ACID, 2-CHLORO-4-(TRIFLUOROMETHYL)-

  • Categories:

    Chemical Reagents  >  Organic Reagents

Description

colorless or light yellow liquid

2-Chloro-4-trifluoromethylbenzoic acid Basic Attributes

224.56

223.985199

2916399090

Characteristics

37.3

3.9

1.5±0.1 g/cm3

114-117℃

255 °C

108 °C

1.496

0.009mmHg at 25°C

2-Chloro-4-trifluoromethylbenzoic acid Use and Manufacturing

General procedure: For a typical reaction, a Vapourtec 2R+ Series was used as the platform with a Vapourtec Gas/Liquid Membrane Reactor to load the carbon monoxide. The HPLC pump were both set at 0.125 mL/min, temperature of the reactor at 110 °C, pressure of CO at 15 bar with a back pressure regulator of 250 psi (17.24 bar). The system was left running for 2 h to reach steady state after which time the flow streams were switched to pass from the loops where the substrates and catalysts were loaded. The first loop (5 mL) was filled with a solution of palladium acetate (20 mg, 0.08 mmol), triphenylphosphine (48 mg, 0.168 mmol) in 6 mL of 1, 4-dioxane while the second loop (5 mL) was filled with a solution made from the ortho-substituted iodoarene substrate (1.68 mmol), triethylamine (0.272 g, 0.374 mL, 2.69 mmol) and water (0.505 g, 28 mmol) in 5.8 mL of 1, 4-dioxane. An OmnifitBy proceeding as described above but using dimethylsulphoxide instead of N-methylpyrrolidinone there was obtained 2-chloro-4-trifluoromethylbenzoic acid in 99% yield (purity >95%).By proceeding as described above but using a 9:1 mixture of acetonitrile and N-methylpyrrolidinone instead of N-methylpyrrolidinone alone, there was obtained 2-chloro-4-trifluoromethylbenzoic acid in 97% yield (purity greater than 95%).Step 1-3, Preparation of tert-butyl (3R)-4-[4-bromo-2-(methoxycarbonyl)phenyl]-3-ethylpiperazine-1-carboxylate Step 13-6, Preparation of [2-(benzyloxy)ethyl]({4-[(2R)-4-[2-chloro-4-(trifluoromethyl)benzoyl]-2-ethylpiperazin-1-yl]-2'-ethoxy-[1, 1'-biphenyl]-3-yl}methyl)amine To a solution of To a mixture of ethanol (2.05 g; 44.5 mmol) and 30 mL N-methyl pyrrolidine is added sodium hydride (55% in mineral oil) (534 mg; 22.3 mmol) and the reaction mixture is stirred for 30 min at room temperature.

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