2-Fluoro-6-methoxybenzyl bromide

Base Information

• Chemical Name: 2-Fluoro-6-methoxybenzyl bromide
• CAS No.: 500912-17-4
• Molecular Formula: C8H9FO2
• Molecular Weight: 219.053
• Hs Code.: 2909309090
• European Community (EC) Number: 642-579-8
• DSSTox Substance ID: DTXSID40381385
• Wikidata: Q82172183
• Mol file: 500912-17-4.mol

Synonyms:2-Fluoro-6-methoxybenzyl bromide;500912-17-4;2-(bromomethyl)-1-fluoro-3-methoxybenzene;MFCD08688579;SCHEMBL696401;2-Fluoro-6-methoxybenzylbromide;DTXSID40381385;PVKFBCBTHHTDEX-UHFFFAOYSA-N;2-fluoro-6-methoxy-benzyl bromide;AVA91217;BBL103842;CL9435;STL557652;AKOS005257862;AM82934;AS-46346;2-Fluoro-6-methoxybenzyl bromide, AldrichCPR;EN300-1896623

Chemical Property of 2-Fluoro-6-methoxybenzyl bromide

Chemical Property:

• Vapor Pressure: 0.21mmHg at 25°C
• Melting Point: 18-21°C
• Refractive Index: 1.557
• Boiling Point: 216 °C at 760 mmHg
• Flash Point: 102.4 °C
• PSA: 9.23000
• Density: 1.488 g/cm³
• LogP: 2.72920
• Sensitive.: Lachrymatory
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 217.97426
• Heavy Atom Count: 11
• Complexity: 121

Purity/Quality:

99% ^*data from raw suppliers

2-Fluoro-6-methoxybenzylBromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Fluoro-6-methoxybenzyl bromide

There total 1 articles about 2-Fluoro-6-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:

2-fluoro-6-methoxybenzyl alcohol (253668-46-1) → 2-(bromomethyl)-1-fluoro-3-methoxybenzene (500912-17-4)

Guidance literature:

2-fluoro-6-methoxybenzyl alcohol; With methanesulfonyl chloride; triethylamine; In ethyl acetate; for 0.5h; Cooling with ice;

With lithium bromide monohydrate; In ethyl acetate; at 55 ℃; for 2h;

Reference yield: 100.0%

2-(bromomethyl)-1-fluoro-3-methoxybenzene (500912-17-4) + triphenylphosphine (603-35-0) → (2-fluoro-6-methoxybenzyl)triphenylphosphonium bromide

Guidance literature:

In acetonitrile; at 80 ℃; for 3h; Inert atmosphere;

Reference yield: 63.0%

2-(bromomethyl)-1-fluoro-3-methoxybenzene (500912-17-4) + Diethyl 2-bromomalonate (685-87-0) → diethyl 2-bromo-2-(2-fluoro-6-methoxybenzyl)malonate

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 24h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.joc.0c02477

upstream raw materials:

2-fluoro-6-methoxybenzyl alcohol

Downstream raw materials:

5-chloro-2-(2-fluoro-6-methoxybenzyloxy)-4-nitroanisole

tert-butyl 1-(2-fluoro-6-methoxybenzyl)-2-oxopiperidin-3-ylcarbamate

3-amino-1-(2-fluoro-6-methoxybenzyl)piperidin-2-one

N-(1-(2-fluoro-6-methoxybenzyl)-2-oxopiperidin-3-yl)-3-(2-methylpyridin-4-yl)-1H-indazole-5-carboxamide

Refernces