4-Chloro-3-(trifluoromethyl)benzyl bromide

Base Information

• Chemical Name: 4-Chloro-3-(trifluoromethyl)benzyl bromide
• CAS No.: 261763-23-9
• Molecular Formula: C8H5 Br Cl F3
• Molecular Weight: 273.48
• Hs Code.: 2903999090
• European Community (EC) Number: 670-760-1
• DSSTox Substance ID: DTXSID70380780
• Wikidata: Q72511858
• Mol file: 261763-23-9.mol

Synonyms:261763-23-9;4-Chloro-3-(trifluoromethyl)benzyl bromide;4-(bromomethyl)-1-chloro-2-(trifluoromethyl)benzene;3-trifluoromethyl-4-chlorobenzyl bromide;Benzene, 4-(bromomethyl)-1-chloro-2-(trifluoromethyl)-;4-bromomethyl-1-chloro-2-trifluoromethyl-benzene;SCHEMBL120051;DTXSID70380780;CK2018;MFCD01631540;AKOS015849946;3-trifluoromethyl-4-chlorobenzylbromide;AC-4170;PS-9949;3-trifluromethyl-4-chlorobenzyl bromide;4-chloro-3-trifluoromethylbenzyl bromide;3-(Trifluoromethyl)-4-Chloro Benzyl Bromide;FT-0657407;A22688;1-bromomethyl-4-chloro-3-trifluoromethyl-benzene;EN300-1929781;4-CHLORO-3-(TRIFLUOROMETHYL)BENZYL BROMID;4-chloro-3-(trifluoromethyl)benzyl bromide, AldrichCPR

Chemical Property of 4-Chloro-3-(trifluoromethyl)benzyl bromide

Chemical Property:

• Vapor Pressure: 0.0831mmHg at 25°C
• Melting Point: 36-40℃
• Boiling Point: 233.9°Cat760mmHg
• Flash Point: 95.3°C
• PSA: 0.00000
• Density: 1.663g/cm³
• LogP: 4.25370
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 271.92152
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Chloro-3-(trifluoromethyl)benzylBromide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CBr)C(F)(F)F)Cl

Technology Process of 4-Chloro-3-(trifluoromethyl)benzyl bromide

There total 1 articles about 4-Chloro-3-(trifluoromethyl)benzyl bromide 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: 86.0%

(4-chloro-3-(trifluoromethyl)phenyl)methanol (65735-71-9) → 4-(bromomethyl)-1-chloro-2-(trifluoromethyl)benzene (261763-23-9)

Guidance literature:

With phosphorus tribromide; In 1,2-dimethoxyethane; at 0 - 20 ℃; for 2.5h;

DOI:10.1021/acs.jmedchem.1c00432

Reference yield: 100.0%

4-(bromomethyl)-1-chloro-2-(trifluoromethyl)benzene (261763-23-9) + ethyl acetohydroximate (10576-12-2) → N-(4-chloro-3-trifluoromethylbenzyloxy)acetimidic acid ethyl ester (1418144-64-5)

Guidance literature:

ethyl acetohydroximate; With potassium tert-butylate; In N,N-dimethyl-formamide; at 20 ℃; for 0.333333h;

4-(bromomethyl)-1-chloro-2-(trifluoromethyl)benzene; In N,N-dimethyl-formamide; at 20 ℃; for 5h;

DOI:10.1021/ml300396r

Reference yield: 89.0%

4-(bromomethyl)-1-chloro-2-(trifluoromethyl)benzene (261763-23-9) + tert-butyl 3-hydroxyazetidine-1-carboxylate (141699-55-0) → tert-butyl 3-((4-chloro-3-(trifluoromethyl)benzyl)oxy)azetidine-1-carboxylate

Guidance literature:

tert-butyl 3-hydroxyazetidine-1-carboxylate; With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃; for 0.5h;

4-(bromomethyl)-1-chloro-2-(trifluoromethyl)benzene; In N,N-dimethyl-formamide; at 0 - 20 ℃;

DOI:10.1021/acs.jmedchem.1c00432

upstream raw materials:

(4-chloro-3-(trifluoromethyl)phenyl)methanol

Downstream raw materials:

[3-(4-Chloro-3-trifluoromethyl-benzyloxy)-phenyl]-methanol

2-(4-chloro-3-(trifluoromethyl)phenyl)acetonitrile

C₁₆H₁₃ClF₃N₅O

C₁₅H₁₂ClF₃N₆O

Refernces

• 1、 -. "TISSUE FACTOR PRODUCTION INHIBITOR". Page/Page column 108-109. . Retrieved 2010/11/26.