2-Fluoro-4-methylbenzyl bromide

Base Information

• Chemical Name: 2-Fluoro-4-methylbenzyl bromide
• CAS No.: 118745-63-4
• Molecular Formula: C8H8 Br F
• Molecular Weight: 203.054
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID70380962
• Wikidata: Q82171473
• Mol file: 118745-63-4.mol

Synonyms:2-Fluoro-4-methylbenzyl bromide;118745-63-4;1-(bromomethyl)-2-fluoro-4-methylbenzene;2-Fluoro-4-methylbenzylbromide;MFCD03094327;1-(bromomethyl)-2-fluoro-4-methyl-benzene;Benzene, 1-(bromomethyl)-2-fluoro-4-methyl-;SCHEMBL1354248;DTXSID70380962;SSDOQXRIONFILC-UHFFFAOYSA-N;AKOS015956689;PS-10039;FT-0708886;EN300-214838;A902881

Chemical Property of 2-Fluoro-4-methylbenzyl bromide

Chemical Property:

• Vapor Pressure: 0.232mmHg at 25°C
• Refractive Index: 1.539
• Boiling Point: 214°C at 760 mmHg
• Flash Point: 86°C
• PSA: 0.00000
• Density: 1.456g/cm³
• LogP: 3.02900
• Storage Temp.: Refrigerator
• Sensitive.: Lachrymatory
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: Insoluble in water.
• 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:

99% ^*data from raw suppliers

2-Fluoro-4-methylbenzylBromide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)CBr)F
• Uses: 2-Fluoro-4-methylbenzyl bromide is used as a pharmaceutical intermediate.

Technology Process of 2-Fluoro-4-methylbenzyl bromide

There total 1 articles about 2-Fluoro-4-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: 86.0%

2-fluoro-1,4-dimethylbenzene (696-01-5) → 1-(bromomethyl)-2-fluoro-4-methylbenzene (118745-63-4)

Guidance literature:

With bromine; at 130 - 150 ℃; for 2h;

DOI:10.1016/S0022-1139(00)81059-3

Reference yield: 98.0%

3-(5-fluoro-6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-7,7-dimethyl-5,7-dihydro-6H-pyrrolo[2,3-e][1,2,4]triazin-6-one + 1-(bromomethyl)-2-fluoro-4-methylbenzene (118745-63-4) → 3-[5-fluoro-1-(2-fluoro-4-methylbenzyl)-6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl] 7,7-dimethyl-5,7-dihydro-6H-pyrrolo [2,3-e][1,2,4]triazine-6-one

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 0.166667h;

Reference yield: 85.0%

1-(bromomethyl)-2-fluoro-4-methylbenzene (118745-63-4) + triethyl phosphite (122-52-1) → 1-(diethoxyphosphorylmethyl)-2-fluoro-4-methylbenzene

Guidance literature:

at 160 ℃; for 5h;

upstream raw materials:

2-fluoro-1,4-dimethylbenzene

Refernces