2-Bromo-5-fluorobenzyl chloride

Base Information

• Chemical Name: 2-Bromo-5-fluorobenzyl chloride
• CAS No.: 857276-61-0
• Molecular Formula: C7H5BrClF
• Molecular Weight: 223.472
• Hs Code.: 2903999090
• European Community (EC) Number: 696-487-8
• DSSTox Substance ID: DTXSID40655912
• Wikidata: Q72456000
• Mol file: 857276-61-0.mol

Synonyms:857276-61-0;2-BROMO-5-FLUOROBENZYL CHLORIDE;2-Bromo-5-fluorobenzylchloride;1-bromo-2-(chloromethyl)-4-fluorobenzene;Benzene, 1-bromo-2-(chloromethyl)-4-fluoro-;MFCD09263441;SCHEMBL3075261;DTXSID40655912;OPMKPLUMLVBPET-UHFFFAOYSA-N;AKOS009359928;HG-0023;1-bromo-2-chloromethyl-4-fluorobenzene;1-Bromo-2-chloromethyl-4-fluoro-benzene;SY021377;FT-0723211;A22474;EN300-155931

Chemical Property of 2-Bromo-5-fluorobenzyl chloride

Chemical Property:

• Vapor Pressure: 0.0896mmHg at 25°C
• Boiling Point: 232.5oC at 760 mmHg
• Flash Point: 94.4oC
• PSA: 0.00000
• Density: 1.624g/cm3
• LogP: 3.32700
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 221.92472
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

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

2-Bromo-5-fluorobenzylchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)CCl)Br

Technology Process of 2-Bromo-5-fluorobenzyl chloride

There total 1 articles about 2-Bromo-5-fluorobenzyl chloride 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: 72.0%

2-bromo-5-fluorobenzyl alcohol (202865-66-5) → 5-fluoro-2-bromobenzyl chloride (857276-61-0)

Guidance literature:

With N-chloro-succinimide; triphenylphosphine; In dichloromethane; at 20 ℃; for 8h;

DOI:10.1021/ol8006887

Reference yield: 88.0%

5-fluoro-2-bromobenzyl chloride (857276-61-0) + 3-(4-hydroxyphenyl)propionic acid methyl ester (5597-50-2) → methyl 3-(4-((2-bromo-5-fluorobenzyl)oxy)phenyl)propanoate

Guidance literature:

With potassium carbonate; potassium iodide; In acetone; for 12h; Reflux;

DOI:10.1021/jm300215x

Reference yield: 19.0%

5-fluoro-2-bromobenzyl chloride (857276-61-0) → 2-chloromethyl-4-fluoro-phenylboronic acid (1040264-31-0)

Guidance literature:

5-fluoro-2-bromobenzyl chloride; With n-butyllithium; In tetrahydrofuran; hexane; at -110 - -95 ℃; for 1.6h;

With Triisopropyl borate; In tetrahydrofuran; hexane; at -110 - 20 ℃;

With hydrogenchloride; water; In tetrahydrofuran; hexane;

DOI:10.1021/ol8006887

upstream raw materials:

2-bromo-5-fluorobenzyl alcohol

Downstream raw materials:

{4-[1-(2-bromo-5-fluoro-benzyl)-5-oxo-1,5-dihydro-[1,2,4]triazol-4-yl]-benzyl}-methyl-carbamic acid tert-butyl ester

2-(2-bromo-5-fluoro-benzyl)-4-(4-methylaminomethyl-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one

2-chloromethyl-4-fluoro-phenylboronic acid

3-(4-((4-fluoro-[1,1'-biphenyl]-2-yl)methoxy)phenyl)propanoic acid

Refernces