2-Fluoro-5-methylbenzyl bromide

Base Information

• Chemical Name: 2-Fluoro-5-methylbenzyl bromide
• CAS No.: 886500-09-0
• Molecular Formula: C8H8 Br F
• Molecular Weight: 203.054
• Hs Code.: 2903999090
• European Community (EC) Number: 679-358-0
• DSSTox Substance ID: DTXSID40590697
• Wikidata: Q82484336
• Mol file: 886500-09-0.mol

Synonyms:2-Fluoro-5-methylbenzyl bromide;886500-09-0;2-(bromomethyl)-1-fluoro-4-methylbenzene;Benzene, 2-(bromomethyl)-1-fluoro-4-methyl-;SCHEMBL268462;DTXSID40590697;MYGZYGUNZCNJAU-UHFFFAOYSA-N;MFCD06660227;AKOS009311664;JS-4431;2-bromomethyl-1-fluoro-4-methyl-benzene;DB-088319;2-Fluoro-5-methylbenzyl bromide, AldrichCPR;EN300-1717811

Chemical Property of 2-Fluoro-5-methylbenzyl bromide

Chemical Property:

• Refractive Index: 1.5450
• PSA: 0.00000
• LogP: 3.02900
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 201.97934
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

97% ^*data from raw suppliers

2-Fluoro-5-methylbenzyl bromide ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)F)CBr

Technology Process of 2-Fluoro-5-methylbenzyl bromide

There total 2 articles about 2-Fluoro-5-methylbenzyl 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-5-methyl-benzenemethanol (64977-30-6) → 2-(bromomethyl)-1-fluoro-4-methylbenzene (886500-09-0)

Guidance literature:

With boron tribromide; at -45 - 20 ℃;

Reference yield:

2-fluoro-5-methyl-benzoic acid (321-12-0) → 2-(bromomethyl)-1-fluoro-4-methylbenzene (886500-09-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: lithium aluminium tetrahydride / tetrahydrofuran; diethyl ether / 1.5 h / 0 °C / Heating / reflux

1.2: 0 °C

2.1: boron tribromide / -45 - 20 °C

With lithium aluminium tetrahydride; boron tribromide; In tetrahydrofuran; diethyl ether;

Reference yield:

2-(bromomethyl)-1-fluoro-4-methylbenzene (886500-09-0) + ethyl 3-benzamido-6,6-dimethyl-5,6-dihydropyrrolo[3,4-c]-pyrazole-2(4H)-carboxylate (1041260-88-1) → N-[5-(2-fluoro-5-methylbenzyl)-6,6-dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl]benzamide

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In methanol; at 45 ℃; for 3h; pH=10;

DOI:10.1016/j.ejmech.2021.113627

upstream raw materials:

2-fluoro-5-methyl-benzenemethanol

2-fluoro-5-methyl-benzoic acid

Downstream raw materials:

(2-fluoro-5-methyl-phenyl)-acetonitrile

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