4-(Bromomethyl)-3-(trifluoromethyl)-Benzoylchloride

Base Information

• Chemical Name: 4-(Bromomethyl)-3-(trifluoromethyl)-Benzoylchloride
• CAS No.: 948553-14-8
• Molecular Formula: C9H5BrClF3O
• Molecular Weight: 301.49
• Hs Code.: 2916399090
• Mol file: 948553-14-8.mol

Synonyms:4-Bromomethyl-3-trifluoromethylbenzoyl chloride;

Chemical Property of 4-(Bromomethyl)-3-(trifluoromethyl)-Benzoylchloride

Chemical Property:

• Vapor Pressure: 0.00352mmHg at 25°C
• Refractive Index: 1.517
• Boiling Point: 281.7 °C at 760 mmHg
• Flash Point: 124.1 °C
• PSA: 17.07000
• Density: 1.685 g/cm³
• LogP: 3.97930

Purity/Quality:

98%min ^*data from raw suppliers

4-(Bromomethyl)-3-(trifluoromethyl)benzoyl chloride 97.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(Bromomethyl)-3-(trifluoromethyl)-Benzoylchloride

There total 2 articles about 4-(Bromomethyl)-3-(trifluoromethyl)-Benzoylchloride 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:

4-(bromomethyl)-3-(trifluoromethyl)benzoic acid (859213-39-1) → 4-(bromomethyl)-3-(trifluoromethyl)benzoyl chloride (948553-14-8)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃;

DOI:10.1016/j.bmcl.2005.11.042

Reference yield:

4-methyl-3-(trifluoromethyl)benzoic acid (261952-01-6) → 4-(bromomethyl)-3-(trifluoromethyl)benzoyl chloride (948553-14-8)

Guidance literature:

Multi-step reaction with 2 steps

1: NaBrO₃; NaHSO₃ / ethyl acetate

2: (COCl)2; DMF / CH₂Cl₂ / 20 °C

With sodium bromate; oxalyl dichloride; sodium hydrogensulfite; N,N-dimethyl-formamide; In dichloromethane; ethyl acetate;

DOI:10.1016/j.bmcl.2005.11.042

Reference yield:

4-(bromomethyl)-3-(trifluoromethyl)benzoyl chloride (948553-14-8) + 3-amino-4-methylphenol (2836-00-2) → C16H13BrF3NO2

Guidance literature:

With sodium hydrogencarbonate; In tetrahydrofuran; at 20 ℃; for 1h;

DOI:10.1016/j.ejmech.2020.112755

upstream raw materials:

4-(bromomethyl)-3-(trifluoromethyl)benzoic acid

4-methyl-3-(trifluoromethyl)benzoic acid

Downstream raw materials:

4-(bromomethyl)-3-trifluoromethyl-N-{4-methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]phenyl}benzamide

4-(4-methylpiperazin-1-ylmethyl)-3-trifluoromethyl-N-{4-methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]phenyl}benzamide

4-[(R)-3-(dimethylamino)pyrrolidin-1-ylmethyl]-3-trifluoromethyl-N-{4-methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]phenyl}benzamide

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Refernces

• 1、 -. "Acrylamide Derivative And Use Thereof In Manufacture Of Medicament". Page/Page column 11. . Retrieved 2012/05/20.
• 2、 -. "AMIDE DERIVATIVE AND MEDICINE". Page/Page column 40-41. . Retrieved 2010/11/23.