Methyl 2-bromo-5-fluorobenzoate

Base Information

• Chemical Name: Methyl 2-bromo-5-fluorobenzoate
• CAS No.: 6942-39-8
• Molecular Formula: C8H6BrFO2
• Molecular Weight: 233.037
• Hs Code.: 2916399090
• European Community (EC) Number: 614-965-6
• NSC Number: 57466
• DSSTox Substance ID: DTXSID00219574
• Nikkaji Number: J2.879.176C
• Wikidata: Q83096521
• Mol file: 6942-39-8.mol

Synonyms:Methyl 2-bromo-5-fluorobenzoate;6942-39-8;Benzoic acid, 2-bromo-5-fluoro-, methyl ester;2-bromo-5-fluorobenzoic acid methyl ester;2-BROMO-5-FLUORO-BENZOIC ACID METHYL ESTER;MFCD00086167;NSC57466;SCHEMBL612915;methyl-2-bromo-5-fluorobenzoate;DTXSID00219574;NSC 57466;NSC-57466;AKOS009019750;AB03201;CS-W002352;PS-7687;AC-28901;AM804239;SY018237;2-Bromo-5-fluorobenzoic acid, methyl ester;2-Bromo-5-fluoro-benzoic acid, methyl ester;FT-0766444;M3101;EN300-7379359;A836492;J-521963

Chemical Property of Methyl 2-bromo-5-fluorobenzoate

Chemical Property:

• Vapor Pressure: 0.0255mmHg at 25°C
• Refractive Index: 1.531
• Boiling Point: 247.5 °C at 760 mmHg
• Flash Point: 103.5 °C
• Density: 1.577 g/cm³
• 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

Methyl 2-Bromo-5-fluorobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-bromo-5-fluorobenzoate

There total 5 articles about Methyl 2-bromo-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: 100.0%

methanol (67-56-1) + 2-Bromo-5-fluorobenzoic acid (394-28-5) → methyl 2-bromo-5-fluorobenzoate (6942-39-8)

Guidance literature:

With thionyl chloride; for 8h; Heating;

DOI:10.1021/jo0502293

Reference yield: 98.0%

2-Bromo-5-fluorobenzoic acid (394-28-5) + diazomethyl-trimethyl-silane (18107-18-1) → methyl 2-bromo-5-fluorobenzoate (6942-39-8)

Guidance literature:

In methanol; diethyl ether; at 0 ℃;

Reference yield: 98.0%

2-Bromo-5-fluorobenzoic acid (394-28-5) + methyl iodide (74-88-4) → methyl 2-bromo-5-fluorobenzoate (6942-39-8)

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

upstream raw materials:

methanol

2-Bromo-5-fluorobenzoic acid

trimethyl orthoformate

diazomethyl-trimethyl-silane

Downstream raw materials:

1,2,4,7-Tetrafluor-fluoren-9-on

2-(2-bromo-5-fluorophenyl)-2-propanol

methyl 2-bromo-5-(N,N-dimethylamino)benzoate

2-bromo-5-fluoro[α,α-(2)H2]benzyl alcohol

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