3-Bromo-5-chloro-2,6-dimethoxybenzoate

Base Information

• Chemical Name: 3-Bromo-5-chloro-2,6-dimethoxybenzoate
• CAS No.: 73219-92-8
• Molecular Formula: C9H7BrClO4
• Molecular Weight: 294.507
• Hs Code.: 2918999090
• DSSTox Substance ID: DTXSID70426112
• Wikidata: Q82239080
• Mol file: 73219-92-8.mol

Synonyms:3-bromo-5-chloro-2,6-dimethoxybenzoate;3-bromo-5-chloro-2,6-dimethoxy-benzoate;73219-92-8;DTXSID70426112

Chemical Property of 3-Bromo-5-chloro-2,6-dimethoxybenzoate

Chemical Property:

• Vapor Pressure: 1.92E-06mmHg at 25°C
• Melting Point: 95-97°C
• Boiling Point: 379.7 °C at 760 mmHg
• PKA: 3.22±0.10(Predicted)
• Flash Point: 183.4 °C
• PSA: 55.76000
• Density: 1.659±0.06 g/cm3(Predicted)
• LogP: 2.81790
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 292.92162
• Heavy Atom Count: 15
• Complexity: 233

Purity/Quality:

98%Min ^*data from raw suppliers

3-BROMO-5-CHLORO-2,6-DIMETHOXYBENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C(C=C1Cl)Br)OC)C(=O)[O-]

Technology Process of 3-Bromo-5-chloro-2,6-dimethoxybenzoate

There total 3 articles about 3-Bromo-5-chloro-2,6-dimethoxybenzoate 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: 80.0%

3-bromo-2,6-dimethoxybenzoic acid (73219-89-3) → 3-bromo-5-chloro-2,6-dimethoxybenzoic acid (73219-92-8)

Guidance literature:

With sulfuryl dichloride; In chloroform; 1.) RT, 12 h, 2.) reflux, 45 min;

DOI:10.1021/jm00353a003

Reference yield: 17.0%

2,6-dimethoxy-3-chlorobenzoic acid (36335-47-4) → 3-bromo-5-chloro-2,6-dimethoxybenzoic acid (73219-92-8)

Guidance literature:

With bromine; sodium acetate; In acetic acid; Ambient temperature;

DOI:10.1021/jm00353a003

Reference yield:

2-6-dimethoxybenzoic acid (1466-76-8) → 3-bromo-5-chloro-2,6-dimethoxybenzoic acid (73219-92-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 78 percent / SOCl₂ / CHCl₃ / 0.5 h / 50 °C

2: 17 percent / Br₂, AcONa / acetic acid / Ambient temperature

With thionyl chloride; bromine; sodium acetate; In chloroform; acetic acid;

DOI:10.1021/jm00353a003

upstream raw materials:

2,6-dimethoxy-3-chlorobenzoic acid

3-bromo-2,6-dimethoxybenzoic acid

2-6-dimethoxybenzoic acid

Downstream raw materials:

A 32637

3-Bromo-5-chloro-2,6-dimethoxy-benzoyl chloride

Refernces

• 1、 -. "2,6-Dialkoxybenzamides, intermediates, pharamaceutical compositions and methods for treatment of psychotic disorders". . . Retrieved 2008/06/13.