Methyl 5-bromo-2,4-dimethoxybenzoate

Base Information

• Chemical Name: Methyl 5-bromo-2,4-dimethoxybenzoate
• CAS No.: 39503-51-0
• Molecular Formula: C10H11BrO4
• Molecular Weight: 275.099
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID40397461
• Wikidata: Q72488481
• Mol file: 39503-51-0.mol

Synonyms:methyl 5-bromo-2,4-dimethoxybenzoate;39503-51-0;Methyl 5-bromo-2,4-dimethoxy-benzoate;SCHEMBL383036;DTXSID40397461;VJROGSBBDLIEMZ-UHFFFAOYSA-N;methyl5-bromo-2,4-dimethoxybenzoate;MFCD05154996;AKOS015852337;CS-W014575;AS-62602;FT-0658251;5-bromo-2,4-dimethoxybenzoic acid methyl ester;F10878;A824577;methyl 5-bromo-2,4-dimethoxy-benzoate;Methyl 5-bromo-2,4-dimethoxybenzoate

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

Chemical Property:

• Melting Point: 117℃
• Boiling Point: 349.1 °C at 760 mmHg
• Flash Point: 164.9 °C
• PSA: 44.76000
• Density: 1.436g/cm³
• LogP: 2.25290
• Storage Temp.: Sealed in dry,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:

99% ^*data from raw suppliers

METHYL 5-BROMO-2,4-DIMETHOXYBENZOATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1C(=O)OC)Br)OC

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

There total 11 articles about Methyl 5-bromo-2,4-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: 90.0%

methyl 2, 4-dimethoxybenzoate (2150-41-6) → 2,4-Dimethoxy-5-bromobenzoic acid methyl ester (39503-51-0)

Guidance literature:

With tetrabutylammomium bromide; 3,3-dimethyldioxirane; In acetone; at 0 ℃; regioselective reaction;

DOI:10.2174/157017809789869474

Reference yield: 90.0%

methanol (67-56-1) + 5-bromo-2,4-dimethoxybenzoic acid (32246-20-1) → 2,4-Dimethoxy-5-bromobenzoic acid methyl ester (39503-51-0)

Guidance literature:

With sulfuric acid; at 70 ℃; for 5h;

Reference yield: 87.0%

5-bromo-2,4-dimethoxybenzoic acid (32246-20-1) + acetyl chloride (75-36-5) → 2,4-Dimethoxy-5-bromobenzoic acid methyl ester (39503-51-0)

Guidance literature:

With hydrogenchloride; In methanol; at 0 ℃; for 14h; Reflux;

upstream raw materials:

methanol

5-bromo-2,4-dimethoxybenzoic acid

methyl 5-bromo-2-hydroxy-4-methoxybenzoate

dimethyl sulfate

Downstream raw materials:

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

methyl 5-(3-chloro-2-fluorobenzyl)-2,4-dimethoxybenzoate

C₁₈H₁₆Cl₂O₆

5-(3-carboxy-4-methoxy-5-methylphenoxy)-2,4-dimethoxybenzoic acid

Refernces

• 1、 -. "LONG CHAIN BASE SPHINGOSINE KINASE INHIBITORS". Paragraph 0311; 0204. . Retrieved 2013/08/28.
• 2、 Lee, Yean-Jang,Wu, Huan-Ting,Lin, Chia-Ning. "A new method for halogenation of aromatic compounds by using dimethyldioxirane and tetrabutylammonium halides". experimental part. p. 585 - 587. Retrieved 2010/04/23.