Dimethyl 4,6-dibromobenzene-1,3-dicarboxylate

Base Information

• Chemical Name: Dimethyl 4,6-dibromobenzene-1,3-dicarboxylate
• CAS No.: 90766-77-1
• Molecular Formula: C10H8Br2O4
• Molecular Weight: 351.979
• DSSTox Substance ID: DTXSID80577780
• Nikkaji Number: J802.741B
• Wikidata: Q82467872

Synonyms:90766-77-1;dimethyl 4,6-dibromoisophthalate;Dimethyl 4,6-dibromobenzene-1,3-dicarboxylate;1,3-Benzenedicarboxylic acid, 4,6-dibromo-, dimethyl ester;SCHEMBL70159;DTXSID80577780

Chemical Property of Dimethyl 4,6-dibromobenzene-1,3-dicarboxylate

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 351.87688
• Heavy Atom Count: 16
• Complexity: 256

Purity/Quality:

98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=C(C=C1Br)Br)C(=O)OC

Technology Process of Dimethyl 4,6-dibromobenzene-1,3-dicarboxylate

There total 5 articles about Dimethyl 4,6-dibromobenzene-1,3-dicarboxylate 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: 94.0%

4,6-dibromobenzene-1,3-dicarboxylic acid (24063-27-2) → dimethyl 4,6-dibromobenzene-1,3-dioate (90766-77-1)

Guidance literature:

With thionyl chloride; In methanol; under 760.051 Torr; Inert atmosphere; Reflux;

DOI:10.1002/chem.202102781

Reference yield: 89.0%

methanol (67-56-1) + 4,6-dibromobenzene-1,3-dicarboxylic acid (24063-27-2) → dimethyl 4,6-dibromobenzene-1,3-dioate (90766-77-1)

Guidance literature:

With sulfuric acid; In water; at 100 ℃; for 0.333333h; Microwave irradiation;

DOI:10.1002/chem.202000661

Reference yield:

1,5-dibromo-2,4-dimethylbenzene (615-87-2) → dimethyl 4,6-dibromobenzene-1,3-dioate (90766-77-1)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium permanganate

2: sulfuric acid

With potassium permanganate; sulfuric acid;

DOI:10.1021/jo2025948

upstream raw materials:

methanol

4,6-dibromobenzene-1,3-dicarboxylic acid

1,5-dibromo-2,4-dimethylbenzene

m-xylene

Downstream raw materials:

4,6-dibromo-α,α-α',α'-tetramethyl-1,3-benzenedimethanol

1,5-dibromo-2,4-di(prop-1-en-2-yl)benzene

{5-[Bis-(4-tert-butyl-phenyl)-hydroxy-methyl]-2,4-diisopropenyl-phenyl}-bis-(4-tert-butyl-phenyl)-methanol

2-[2,4-Bis-[bis-(4-tert-butyl-phenyl)-methyl]-5-(1-hydroxy-1-methyl-ethyl)-phenyl]-propan-2-ol

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