Methyl 2-bromo-6-chlorobenzoate

Base Information

• Chemical Name: Methyl 2-bromo-6-chlorobenzoate
• CAS No.: 685892-23-3
• Molecular Formula: C8H6BrClO2
• Molecular Weight: 249.491
• Hs Code.: 2916399090
• European Community (EC) Number: 673-591-1
• DSSTox Substance ID: DTXSID10374926
• Nikkaji Number: J2.389.256A
• Wikidata: Q82163497
• Mol file: 685892-23-3.mol

Synonyms:methyl 2-bromo-6-chlorobenzoate;685892-23-3;Methyl-2-bromo-6-chlorobenzoate;Benzoic acid, 2-bromo-6-chloro-, methyl ester;methyl2-bromo-6-chlorobenzoate;2-BROMO-6-CHLOROBENZOIC ACID METHYL ESTER;MFCD03789160;SCHEMBL852447;DTXSID10374926;XSNZTSBNXMQBRI-UHFFFAOYSA-N;AKOS004115261;AM83025;MB02960;Methyl 2-bromo-6-chlorobenzoate, 98%;AS-19882;SY063558;A9124;CS-0094451;FT-0755841;J-521969

Chemical Property of Methyl 2-bromo-6-chlorobenzoate

Chemical Property:

• Boiling Point: 274.527 °C at 760 mmHg
• Flash Point: 119.83 °C
• PSA: 26.30000
• Density: 1.605 g/cm³
• LogP: 2.88910
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 247.92397
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-bromo-6-chlorobenzoate ^*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)Cl
• Uses: Methyl 2-bromo-6-chlorobenzoate

Technology Process of Methyl 2-bromo-6-chlorobenzoate

There total 4 articles about Methyl 2-bromo-6-chlorobenzoate 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: 96.8%

2-bromo-6-chlorobenzoic acid (93224-85-2) + dimethyl sulfate (77-78-1) → methyl 2-acetyl-6-chlorobenzoate (685892-23-3)

Guidance literature:

2-bromo-6-chlorobenzoic acid; With lithium hydroxide; In tetrahydrofuran; at 25 ℃; for 1h;

dimethyl sulfate; In tetrahydrofuran; at 85 ℃; for 21h;

DOI:10.1021/jm200808v

Reference yield: 75.0%

dimethylsulfite (616-42-2) + 2-bromo-6-chlorobenzoic acid (93224-85-2) → methyl 2-acetyl-6-chlorobenzoate (685892-23-3)

Guidance literature:

2-bromo-6-chlorobenzoic acid; With lithium hydroxide monohydrate; In tetrahydrofuran; at 25 ℃; for 1h;

dimethylsulfite; In tetrahydrofuran; at 85 ℃; for 21h;

Reference yield:

2-bromo-6-chlorobenzoic acid (93224-85-2) + diazomethyl-trimethyl-silane (18107-18-1) → methyl 2-acetyl-6-chlorobenzoate (685892-23-3)

Guidance literature:

In methanol;

upstream raw materials:

2-bromo-6-chlorobenzoic acid

diazomethyl-trimethyl-silane

dimethyl sulfate

1-bromo-3-chlorobenzene

Downstream raw materials:

methyl 4-(8-chloro-4-methyl-1-oxophthalazin-2(1H)-yl)benzoate

4-(8-chloro-4-methyl-1-oxophthalazin-2(1H)-yl)benzoic acid

methyl 2-acetyl-6-chlorobenzoate