2-bromo-1H-imidazole-4,5-dicarboxylic acid

Base Information

• Chemical Name: 2-bromo-1H-imidazole-4,5-dicarboxylic acid
• CAS No.: 773099-17-5
• Molecular Formula: C₅H₃BrN₂O₄
• Molecular Weight: 234.994
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID90563634
• Wikidata: Q82448107
• Mol file: 773099-17-5.mol

Synonyms:2-bromo-1H-imidazole-4,5-dicarboxylic acid;773099-17-5;SCHEMBL2522013;DTXSID90563634;AMY10192;AKOS005136404;2-bromo-1H-imidazole-4,5-dicarboxylicacid

Chemical Property of 2-bromo-1H-imidazole-4,5-dicarboxylic acid

Chemical Property:

• PSA: 103.28000
• LogP: 0.56860
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 233.92762
• Heavy Atom Count: 12
• Complexity: 222

Purity/Quality:

95+% ^*data from raw suppliers

2-Bromo-1H-imidazole-4,5-dicarboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(N=C(N1)Br)C(=O)O)C(=O)O

Technology Process of 2-bromo-1H-imidazole-4,5-dicarboxylic acid

There total 3 articles about 2-bromo-1H-imidazole-4,5-dicarboxylic acid 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:

diethyl 2-bromo-1H-imidazole-4,5-dicarboxylate (129756-78-1) → 2-bromo-1H-imidazole-4,5-dicarboxylic acid (773099-17-5)

Guidance literature:

With sodium carbonate; In water; at 100 ℃; for 36h;

DOI:10.1021/jo982372k

Reference yield:

4,5-imidazoledicarboxylic acid (570-22-9) → 2-bromo-1H-imidazole-4,5-dicarboxylic acid (773099-17-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 83 percent / H₂SO₄ / 48 h / Heating

2: 95 percent / NBS / acetonitrile / 24 h

3: Na₂CO₃ / H₂O / 36 h / 100 °C

With N-Bromosuccinimide; sulfuric acid; sodium carbonate; In water; acetonitrile; 1: Esterification / 2: Bromination / 3: Hydrolysis;

DOI:10.1021/jo982372k

Reference yield:

imidazole 4,5-dicarboxylic acid diethyl ester (1080-79-1) → 2-bromo-1H-imidazole-4,5-dicarboxylic acid (773099-17-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / NBS / acetonitrile / 24 h

2: Na₂CO₃ / H₂O / 36 h / 100 °C

With N-Bromosuccinimide; sodium carbonate; In water; acetonitrile; 1: Bromination / 2: Hydrolysis;

DOI:10.1021/jo982372k

upstream raw materials:

diethyl 2-bromo-1H-imidazole-4,5-dicarboxylate

4,5-imidazoledicarboxylic acid

imidazole 4,5-dicarboxylic acid diethyl ester

Downstream raw materials:

[5-¹⁵N]-5-((4-bromophenyl)azo)-2-bromo-4-imidazolecarboxylic acid

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