Methyl 2-bromo-4-fluorobenzoate

Base Information

• Chemical Name: Methyl 2-bromo-4-fluorobenzoate
• CAS No.: 653-92-9
• Molecular Formula: C8H6BrFO2
• Molecular Weight: 233.037
• Hs Code.: 2916399090
• European Community (EC) Number: 692-517-9
• DSSTox Substance ID: DTXSID50428417
• Nikkaji Number: J2.458.537I
• Wikidata: Q72488505
• Mol file: 653-92-9.mol

Synonyms:methyl 2-bromo-4-fluorobenzoate;653-92-9;MFCD06204026;Benzoic acid, 2-bromo-4-fluoro-, methyl ester;SCHEMBL852652;AMY6650;DTXSID50428417;JENBPOJAZCPSEW-UHFFFAOYSA-N;Methyl 2-bromo-4-fluoro-benzoate;BCP19381;methyl 2-bromo-4-fluorophenylformate;AKOS005072641;AB23216;GC-0738;methyl (2-bromo-4-fluorophenyl)formate;SY011432;2-bromo-4-fluoro-benzoic acid methyl ester;CS-0041783;FT-0660549;Methyl 2-bromo-4-fluorobenzoate, AldrichCPR;EN300-1265458;2-BROMO-4-FLUOROBENZOIC ACID METHYL ESTER;J-521958;F8889-9260

Chemical Property of Methyl 2-bromo-4-fluorobenzoate

Chemical Property:

• Vapor Pressure: 0.0362mmHg at 25°C
• Refractive Index: 1.531
• Boiling Point: 241.3 °C at 760 mmHg
• Flash Point: 99.7 °C
• PSA: 26.30000
• Density: 1.577 g/cm³
• LogP: 2.37480
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.6
• 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:

99% ^*data from raw suppliers

Methyl2-bromo-4-fluorobenzoate ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=C(C=C1)F)Br

Technology Process of Methyl 2-bromo-4-fluorobenzoate

There total 7 articles about Methyl 2-bromo-4-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%

2-bromo-4-fluorobenzoic acid (1006-41-3) + diazomethyl-trimethyl-silane (18107-18-1) → methyl 2-bromo-4-fluorobenzoate (653-92-9)

Guidance literature:

In methanol; hexanes; toluene; at 20 ℃; for 3h;

Reference yield: 98.0%

2-bromo-4-fluorobenzoic acid (1006-41-3) + methyl iodide (74-88-4) → methyl 2-bromo-4-fluorobenzoate (653-92-9)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 23 ℃; for 48h; Inert atmosphere;

DOI:10.1016/j.bmcl.2015.09.021

Reference yield: 95.0%

methanol (67-56-1) + 2-bromo-4-fluorobenzoic acid (1006-41-3) → methyl 2-bromo-4-fluorobenzoate (653-92-9)

Guidance literature:

With sulfuryl dichloride; at 0 - 80 ℃; for 12h;

upstream raw materials:

methanol

2-bromo-4-fluorobenzoic acid

methyl iodide

2-bromo-4-fluoro-phenol

Downstream raw materials:

4-Fluoro-2-phenyl benzoic acid methyl ester

C₁₅H₁₅FN₂O₃

2-bromo-4-fluoro-1-(prop-1-en-2-yl)benzene

2-(2-bromo-4-fluorophenyl)propan-2-ol

Refernces

• 1、 -. "POLYCYCLIC COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES". Paragraph 1777; 1778. . Retrieved 2020/03/29.
• 2、 -. "FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2". Page/Page column 34; 35. . Retrieved 2019/06/23.