Methyl 2-bromo-4,5-dimethoxybenzoate

Base Information

• Chemical Name: Methyl 2-bromo-4,5-dimethoxybenzoate
• CAS No.: 17667-32-2
• Molecular Formula: C10H11BrO4
• Molecular Weight: 275.099
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID50384701
• Nikkaji Number: J1.755.518I
• Wikidata: Q82177019
• Mol file: 17667-32-2.mol

Synonyms:methyl 2-bromo-4,5-dimethoxybenzoate;17667-32-2;methyl-2-bromo-4,5-dimethoxybenzoate;2-bromo-4,5-dimethoxybenzoic acid methyl ester;methyl 6-bromoveratrate;SCHEMBL12497066;DTXSID50384701;BCUHOZBMHZWCGL-UHFFFAOYSA-N;MFCD00017182;AKOS015834884;FS-5011;METHYL2-BROMO-4,5-DIMETHOXYBENZOATE;CS-0211050;D87001;A881506;Methyl 2-bromo-4,5-dimethoxybenzoate, AldrichCPR

Chemical Property of Methyl 2-bromo-4,5-dimethoxybenzoate

Chemical Property:

• Melting Point: 86-88 °C
• Boiling Point: 325.3±37.0 °C(Predicted)
• PSA: 44.76000
• Density: 1.436±0.06 g/cm3(Predicted)
• LogP: 2.25290
• Storage Temp.: Room temperature.
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 273.98407
• Heavy Atom Count: 15
• Complexity: 222

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-bromo-4,5-dimethoxybenzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C(=C1)C(=O)OC)Br)OC
• Uses: Methyl 2-Bromo-4,5-Dimethoxybenzoate can be used as SOS1 inhibitors.

Technology Process of Methyl 2-bromo-4,5-dimethoxybenzoate

There total 11 articles about Methyl 2-bromo-4,5-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: 99.0%

2-bromo-4,5-dimethoxybenzaldehyde (5392-10-9) + dimethyl sulfate (77-78-1) → methyl 6-bromo-3,4-dimethoxybenzoate (17667-32-2)

Guidance literature:

2-bromo-4,5-dimethoxybenzaldehyde; With silver nitrate; sodium hydroxide; In water; acetonitrile; at 20 ℃; for 15h;

dimethyl sulfate; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

Reference yield: 97.0%

2-bromo-4,5-dimethoxybenzoic acid (6286-46-0) + diazomethyl-trimethyl-silane (18107-18-1) → methyl 6-bromo-3,4-dimethoxybenzoate (17667-32-2)

Guidance literature:

In methanol; diethyl ether; toluene; for 1h;

DOI:10.1021/jo060729b

Reference yield: 89.5%

methanol (67-56-1) + 2-bromo-4,5-dimethoxybenzoic acid (6286-46-0) → methyl 6-bromo-3,4-dimethoxybenzoate (17667-32-2)

Guidance literature:

With sulfuric acid; for 6h; Reflux;

DOI:10.1002/cbdv.201800035

upstream raw materials:

diazomethane

2-bromo-4,5-dimethoxybenzoic acid

methyl 3,4-dimethoxybenzoate

methyl 2-amino-4,5-dimethoxybenzoate

Downstream raw materials:

4,5-dimethoxy-2-phenoxy-benzoic acid methyl ester

4,5-dimethoxy-2-(2-methoxy-phenoxy)-benzoic acid

2-bromo-4,5-dimethoxybenzoic acid

tetrahydroisoquinoline