Methyl 2-(bromomethyl)-5-fluorobenzoate

Base Information

Chemical Name:Methyl 2-(bromomethyl)-5-fluorobenzoate
CAS No.:138786-65-9
Molecular Formula:C9H8BrFO2
Molecular Weight:247.064
Hs Code.:2916399090
European Community (EC) Number:835-219-8
DSSTox Substance ID:DTXSID70569255
Wikidata:Q82456367
Mol file:138786-65-9.mol

Synonyms:Methyl 2-(bromomethyl)-5-fluorobenzoate;138786-65-9;METHYL 2-BROMOMETHYL-5-FLUORO-BENZOATE;BENZOIC ACID, 2-(BROMOMETHYL)-5-FLUORO-, METHYL ESTER;MFCD04114323;Methyl 2-bromomethyl-5-fluorobenzoate;2-PYRIDYL-D-ALA;2-Bromomethyl-5-fluoro-benzoic acid methyl ester;SCHEMBL1435113;DTXSID70569255;MWSNENBHAODEGV-UHFFFAOYSA-N;AKOS012409320;AB18074;methyl2-(bromomethyl)-5-fluorobenzoate;Methyl 2-(bromomethyl)5-fluoro-benzoate;AS-42403;SY185743;methyl 2-(bromomethyl)-5-fluoranyl-benzoate;EN300-68441;2-(bromomethyl)-5-fluorobenzoic acid methyl ester;A807439;F2196-0040

Suppliers and Price of Methyl 2-(bromomethyl)-5-fluorobenzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

SynQuest Laboratories
Methyl 2-(bromomethyl)-5-fluorobenzoate 95%
250 mg
$ 75.00

SynQuest Laboratories
Methyl 2-(bromomethyl)-5-fluorobenzoate 95%
1 g
$ 195.00

SynQuest Laboratories
Methyl 2-(bromomethyl)-5-fluorobenzoate 95%
5 g
$ 655.00

Matrix Scientific
Methyl 2-(bromomethyl)-5-fluorobenzoate 95%+
5g
$ 1379.00

Matrix Scientific
Methyl 2-(bromomethyl)-5-fluorobenzoate 95%+
2.500g
$ 911.00

Matrix Scientific
Methyl 2-(bromomethyl)-5-fluorobenzoate 95%+
1g
$ 418.00

J&W Pharmlab
Methyl2-bromomethyl-5-fluoro-benzoate 97%
250mg
$ 125.00

Crysdot
Methyl2-(bromomethyl)-5-fluorobenzoate 95+%
25g
$ 937.00

Crysdot
Methyl2-(bromomethyl)-5-fluorobenzoate 95+%
10g
$ 559.00

Crysdot
Methyl2-(bromomethyl)-5-fluorobenzoate 95+%
5g
$ 419.00

Total 19 raw suppliers

Chemical Property of Methyl 2-(bromomethyl)-5-fluorobenzoate

Chemical Property:

Vapor Pressure:0.001mmHg at 25°C
Refractive Index:1.542
Boiling Point:306.091°C at 760 mmHg
Flash Point:138.919°C
PSA：26.30000
Density:1.534g/cm³
LogP:2.50720
Storage Temp.:under inert gas (nitrogen or Argon) at 2-8°C
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:245.96917
Heavy Atom Count:13
Complexity:187

Purity/Quality:

97% ^*data from raw suppliers

Methyl 2-(bromomethyl)-5-fluorobenzoate 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=C(C=CC(=C1)F)CBr
Uses Methyl 2-(bromomethyl)-5-fluorobenzoate is used as a reactant in the preparation of isoindolones as metabotropic glutamate receptor potentiators.

Technology Process of Methyl 2-(bromomethyl)-5-fluorobenzoate

There total 3 articles about Methyl 2-(bromomethyl)-5-fluorobenzoate 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: 99.0%

: 175278-29-2
5-fluoro-2-methylbenzoic acid methyl ester

: 138786-65-9
methyl 2-(bromomethyl)-5-fluorobenzoate

Guidance literature:: With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; at 80 ℃; for 4h;
DOI:10.1016/j.bmcl.2010.06.134

Reference yield:

: 33184-16-6
5-fluoro-2-methylbenzoic acid

: 138786-65-9
methyl 2-(bromomethyl)-5-fluorobenzoate

Guidance literature:: Multi-step reaction with 2 steps

1: conc. H₂SO₄ / 24 h / Heating

2: N-bromosuccinimide, benzoyl peroxide / CCl₄ / 3 h / Heating

With N-Bromosuccinimide; Perbenzoic acid; sulfuric acid; In tetrachloromethane;
DOI:10.1021/jm00085a005

Reference yield:

: 67-56-1
methanol

: 33184-16-6
5-fluoro-2-methylbenzoic acid

: 138786-65-9
methyl 2-(bromomethyl)-5-fluorobenzoate

Guidance literature:: methanol; 5-fluoro-2-methylbenzoic acid; With sulfuryl dichloride; for 8h; Reflux;

With N-Bromosuccinimide; dibenzoyl peroxide; In 1,2-dichloro-ethane; for 8h; Reflux;
DOI:10.1002/anie.202113464