2-Bromobenzyl fluoride

Base Information

• Chemical Name: 2-Bromobenzyl fluoride
• CAS No.: 446-47-9
• Molecular Formula: C₇H₆BrF
• Molecular Weight: 189.027
• European Community (EC) Number: 828-282-8
• Nikkaji Number: J2.712.374K
• Mol file: 446-47-9.mol

Synonyms:2-bromobenzyl fluoride;446-47-9;1-bromo-2-(fluoromethyl)benzene;2-Bromobenzal fluoride;1-Bromo-2-(fluoromethyl)-benzene;SCHEMBL2294462;MFCD26726839;AKOS023599321;PS-11885;EN300-215150

Chemical Property of 2-Bromobenzyl fluoride

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 187.96369
• Heavy Atom Count: 9
• Complexity: 85

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CF)Br

Technology Process of 2-Bromobenzyl fluoride

There total 3 articles about 2-Bromobenzyl fluoride 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: 69.0%

1-Bromo-2-bromomethyl-benzene (3433-80-5) → 1-bromo-2-(fluoromethyl)benzene (446-47-9)

Guidance literature:

With tetra-n-butylammoniumfluoride trihydrate; In acetonitrile; at 20 ℃; for 18h;

DOI:10.1002/anie.201406088

Reference yield: 56.0%

o-bromobenzyl alcohol (18982-54-2) → 1-bromo-2-(fluoromethyl)benzene (446-47-9)

Guidance literature:

With (bis-(2-methoxyethyl)amino)sulfur trufluoride; In tetrahydrofuran; dichloromethane; at -78 ℃; for 3h;

DOI:10.1055/s-0034-1380135

Reference yield:

2-methylphenyl bromide (95-46-5) → 1-bromo-2-(fluoromethyl)benzene (446-47-9)

Guidance literature:

Multi-step reaction with 2 steps

1: bromine

2: chloroform; HgF₂ / 35 °C / Ausschluss von Feuchtigkeit

With mercury(II) fluoride; chloroform; bromine;

DOI:10.1021/ja01187a003

upstream raw materials:

1-Bromo-2-bromomethyl-benzene

o-bromobenzyl alcohol

2-methylphenyl bromide

Downstream raw materials:

2-(2-(fluoromethyl)phenyl)cyclohexanethiol

1-[(E)-2-phenylethenyl]-1,3-dihydro-2-benzofuran

1,1-diphenyl-1,3-dihydrobenzofuran

1-methyl-1-phenethyl-1,3-dihydroisobenzofuran