3-Bromo-2-fluorobenzoic acid methyl ester

Base Information

• Chemical Name: 3-Bromo-2-fluorobenzoic acid methyl ester
• CAS No.: 206551-41-9
• Molecular Formula: C8H6BrFO2
• Molecular Weight: 233.037
• Hs Code.: 2916399090
• Mol file: 206551-41-9.mol

Synonyms:3-Bromo-2-fluorobenzoic acid methyl ester

Chemical Property of 3-Bromo-2-fluorobenzoic acid methyl ester

Chemical Property:

• Vapor Pressure: 0.016mmHg at 25°C
• Melting Point: 35-37℃
• Refractive Index: 1.531
• Boiling Point: 255.391 °C at 760 mmHg
• Flash Point: 108.257 °C
• PSA: 26.30000
• Density: 1.578 g/cm³
• LogP: 2.37480
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol

Purity/Quality:

99% ^*data from raw suppliers

Methyl 3-Bromo-2-fluorobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Bromo-2-fluorobenzoic acid methyl ester

There total 4 articles about 3-Bromo-2-fluorobenzoic acid methyl ester 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: 89.5%

3-bromo-4-fluorobenzoic acid (1007-16-5) + methyl iodide (74-88-4) → 2-fluoro-3-bromobenzoic acid methyl ester (206551-41-9)

Guidance literature:

With potassium carbonate; In tert-butyl methyl ether; N,N-dimethyl-formamide; at 20 ℃; for 16h;

Reference yield: 67.0%

3-bromo-2-fluorobenzoic acid (161957-56-8) + methyl iodide (74-88-4) → 2-fluoro-3-bromobenzoic acid methyl ester (206551-41-9)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; for 3h;

DOI:10.1016/j.bmcl.2012.06.009

Reference yield:

methanol (67-56-1) + 3-bromo-2-fluorobenzoic acid (161957-56-8) → 2-fluoro-3-bromobenzoic acid methyl ester (206551-41-9)

Guidance literature:

sulfuric acid; for 1h; Inert atmosphere; Reflux;

upstream raw materials:

3-bromo-2-fluorobenzoic acid

trimethyl orthoformate

3-bromo-4-fluorobenzoic acid

methyl iodide

Downstream raw materials:

methyl 3-((tert-butoxycarbonyl)amino)-2-fluorobenzoate

7-(4-aminophenyl)-1H-indazol-3(2H)-one

C₂₁H₁₅F₃N₄O₂

3-bromo-2-fluorobenzoic acid

Refernces

• 1、 -. "Glucosylceramide synthase inhibitors". Page/Page column 51. . Retrieved 2015/09/28.
• 2、 Vasudevan, Anil,Verzal, Mary K.,Villamil, Clara I.,Stewart, Kent D.,Abad-Zapatero, Cele,Oie, Tetsuro,Djuric, Stevan W.. "Contribution of indazolinone tautomers to kinase activity". scheme or table. p. 4502 - 4505. Retrieved 2012/08/08.