Methyl 2-bromo-6-fluorobenzoate

Base Information

• Chemical Name: Methyl 2-bromo-6-fluorobenzoate
• CAS No.: 820236-81-5
• Molecular Formula: C8H6BrFO2
• Molecular Weight: 233.037
• Hs Code.: 2916399090
• European Community (EC) Number: 800-919-4
• DSSTox Substance ID: DTXSID30479861
• Wikidata: Q82314165
• Mol file: 820236-81-5.mol

Synonyms:METHYL 2-BROMO-6-FLUOROBENZOATE;820236-81-5;2-Bromo-6-fluorobenzoic acid methyl ester;MFCD10000922;Benzoic acid, 2-bromo-6-fluoro-, methyl ester;METHYL2-BROMO-6-FLUOROBENZOATE;SCHEMBL9987797;TZQFXIYFLBBLQJ-UHFFFAOYSA-;DTXSID30479861;TZQFXIYFLBBLQJ-UHFFFAOYSA-N;AMY41497;AKOS015834881;DS-18654;SY038477;CS-0045059;FT-0706844;EN300-244271;A856443;Z1269165316;InChI=1/C8H6BrFO2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3

Chemical Property of Methyl 2-bromo-6-fluorobenzoate

Chemical Property:

• PSA: 26.30000
• LogP: 2.37480
• Storage Temp.: Room temperature.
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 231.95352
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-bromo-6-fluorobenzoate ^*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=C1Br)F

Technology Process of Methyl 2-bromo-6-fluorobenzoate

There total 7 articles about Methyl 2-bromo-6-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: 99.7%

2-bromo-6-fluorobenzoic acid (2252-37-1) + methyl iodide (74-88-4) → 2-bromo-6-fluorobenzoic acid methyl ester (820236-81-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 4h;

Reference yield: 95.0%

methanol (67-56-1) + 2-bromo-6-fluorobenzoic acid (2252-37-1) → 2-bromo-6-fluorobenzoic acid methyl ester (820236-81-5)

Guidance literature:

With diazomethyl-trimethyl-silane; In methanol; hexane; benzene; at 0 ℃; for 1h; Inert atmosphere;

Reference yield: 94.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 2-bromo-6-fluorobenzoic acid (2252-37-1) → 2-bromo-6-fluorobenzoic acid methyl ester (820236-81-5)

Guidance literature:

In diethyl ether;

DOI:10.1055/s-2005-861787

upstream raw materials:

diazomethane

2-bromo-6-fluorobenzoic acid

3-fluorobromobenzene

1-Fluoro-3-iodobenzene

Downstream raw materials:

methyl 2-cyclopropyl-6-fluorobenzoate

(2-cyclopropyl-6-fluorophenyl)-methanol

2-chloromethyl-1-cyclopropyl-3-fluorobenzene

6-bromo-8-(2-cyclopropyl-6-fluoro-benzyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one