2,6-Difluoro-4-methoxybenzyl bromide

Base Information

• Chemical Name: 2,6-Difluoro-4-methoxybenzyl bromide
• CAS No.: 94278-68-9
• Molecular Formula: C8H7BrF2O
• Molecular Weight: 237.044
• Hs Code.: 2909309090
• European Community (EC) Number: 679-295-9
• DSSTox Substance ID: DTXSID20391725
• Wikidata: Q72463271
• Mol file: 94278-68-9.mol

Synonyms:2,6-Difluoro-4-methoxybenzyl bromide;94278-68-9;2-(bromomethyl)-1,3-difluoro-5-methoxybenzene;2,6-DIFLUORO-4-METHOXYBENZYLBROMIDE;Benzamidine, N-phenyl-;SCHEMBL160725;DTXSID20391725;JCRQCVDDBZVTMB-UHFFFAOYSA-N;MFCD04115925;AKOS009311663;AC-26275;AS-43498;EN300-1912500;A844899

Chemical Property of 2,6-Difluoro-4-methoxybenzyl bromide

Chemical Property:

• Vapor Pressure: 0.28mmHg at 25°C
• Melting Point: 43-46℃
• Refractive Index: 1.514
• Boiling Point: 210.4 °C at 760 mmHg
• Flash Point: 98.9 °C
• PSA: 9.23000
• Density: 1.566 g/cm³
• LogP: 2.86830
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 235.96483
• Heavy Atom Count: 12
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

2,6-Difluoro-4-methoxybenzyl bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C(=C1)F)CBr)F

Technology Process of 2,6-Difluoro-4-methoxybenzyl bromide

There total 5 articles about 2,6-Difluoro-4-methoxybenzyl 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: 66.0%

(2,6-difluoro-4-methoxyphenyl)methanol (79538-27-5) → 4-(bromomethyl)-3,5-difluorophenyl methyl ether (94278-68-9)

Guidance literature:

With phosphorus(V) oxybromide; In tetrahydrofuran; at 20 ℃; for 2h;

Reference yield:

2,4,6-trifluorobenzoic acid methyl ester (79538-28-6) → 4-(bromomethyl)-3,5-difluorophenyl methyl ether (94278-68-9)

Guidance literature:

Multi-step reaction with 3 steps

1: MeONa / Heating

2: LiAlH₄ / diethyl ether

3: 30percent aq. HBr, AcOH / 0.75 h / Heating

With lithium aluminium tetrahydride; hydrogen bromide; sodium methylate; acetic acid; In diethyl ether;

DOI:10.1021/jo00203a032

Reference yield:

methyl 2,6-difluoro-4-methoxybenzoate (84937-82-6) → 4-(bromomethyl)-3,5-difluorophenyl methyl ether (94278-68-9)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄ / diethyl ether

2: 30percent aq. HBr, AcOH / 0.75 h / Heating

With lithium aluminium tetrahydride; hydrogen bromide; acetic acid; In diethyl ether;

DOI:10.1021/jo00203a032

upstream raw materials:

(2,6-difluoro-4-methoxyphenyl)methanol

2,4,6-trifluorobenzoic acid methyl ester

methyl 2,6-difluoro-4-methoxybenzoate

1-bromo-2,6-difluoro4-methoxybenzene

Downstream raw materials:

diethyl 2-acetamido-2-(2,6-difluoro-4-methoxybenzyl)malonate

2-(2,6-difluoro-4-methoxyphenyl)acetonitrile

4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethyl-N-(2,4,6-trifluorophenyl)-1H-pyrazol-5 amine