1H-Pyrrole-2,3-dicarboxylic acid

Base Information

• Chemical Name: 1H-Pyrrole-2,3-dicarboxylic acid
• CAS No.: 1125-32-2
• Molecular Formula: C₆H₅NO₄
• Molecular Weight: 155.11
• Hs Code.: 2933990090
• European Community (EC) Number: 860-444-3
• DSSTox Substance ID: DTXSID40150073
• Nikkaji Number: J356.585H
• Wikidata: Q83016010
• Mol file: 1125-32-2.mol

Synonyms:pyrrole-2,3-dicarboxylic acid

Chemical Property of 1H-Pyrrole-2,3-dicarboxylic acid

Chemical Property:

• Vapor Pressure: 4.74E-10mmHg at 25°C
• Melting Point: 225 °C (decomp)
• Boiling Point: 480.7°Cat760mmHg
• PKA: 3.07±0.50(Predicted)
• Flash Point: 244.5°C
• PSA: 90.39000
• Density: 1.671g/cm³
• LogP: 0.41110
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 155.02185764
• Heavy Atom Count: 11
• Complexity: 191

Purity/Quality:

98%,99%, ^*data from raw suppliers

1H-Pyrrole-2,3-dicarboxylicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CNC(=C1C(=O)O)C(=O)O
• Uses: A degradation product of melanins.

Technology Process of 1H-Pyrrole-2,3-dicarboxylic acid

There total 6 articles about 1H-Pyrrole-2,3-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:

neuromelanin → pyrrole-2,3-dicarboxylic acid (1125-32-2) + thiazole-4,5-dicarboxylic acid (22358-80-1) + 1H-pyrrole-2,3,5-tricarboxylic acid (945-32-4) + thiazole-2,4,5-tricarboxylic acid

Guidance literature:

With dihydrogen peroxide; potassium carbonate; In water;

DOI:10.1111/jnc.13237

Reference yield:

pyrrole-2,3-dicarboxylic acid 3-ethyl ester (89909-41-1) → pyrrole-2,3-dicarboxylic acid (1125-32-2)

Guidance literature:

With potassium hydroxide;

Reference yield:

1H-indole-5,6-diol (3131-52-0) → pyrrole-2,3-dicarboxylic acid (1125-32-2) + 1H-pyrrole-2,3,5-tricarboxylic acid (945-32-4)

Guidance literature:

With dihydrogen peroxide; potassium carbonate; at 25 ℃; Product distribution;

DOI:10.1016/0040-4020(95)00259-B

upstream raw materials:

pyrrole-2,3-dicarboxylic acid 3-ethyl ester

1H-indole-5,6-diol

5,5',6,6'-tetrahydroxy-2,7'-biindolyl

5,5',6,6'-tetrahydroxy-2,4'-biindolyl

Downstream raw materials:

Pyrrol-2,3-dicarbonsaeure-dimethylester