4,5-Diphenylpyrrole-2,3-dicarboxylic acid

Base Information

• Chemical Name: 4,5-Diphenylpyrrole-2,3-dicarboxylic acid
• CAS No.: 73799-66-3
• Molecular Formula: C₁₈H₁₃NO₄
• Molecular Weight: 307.306
• DSSTox Substance ID: DTXSID901253013

Synonyms:4,5-diphenylpyrrole-2,3-dicarboxylic acid;SCHEMBL10989712;IBGBVQURUWBTKN-UHFFFAOYSA-N;DTXSID901253013;73799-66-3;4,5-diphenyl-1H-pyrrole-2,3-dicarboxylic acid

Chemical Property of 4,5-Diphenylpyrrole-2,3-dicarboxylic acid

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 307.08445790
• Heavy Atom Count: 23
• Complexity: 440

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(NC(=C2C(=O)O)C(=O)O)C3=CC=CC=C3

Technology Process of 4,5-Diphenylpyrrole-2,3-dicarboxylic acid

There total 3 articles about 4,5-Diphenylpyrrole-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:

4,5-diphenyl-pyrrole-2,3-dicarboxylic acid-3-ethyl ester (102079-20-9) → 4,5-diphenyl-pyrrole-2,3-dicarboxylic acid (73799-66-3)

Guidance literature:

With potassium hydroxide;

Reference yield:

4-Methyl-benzoic acid (3aR,4R,6R,6aR)-6-(4-benzoylamino-2-oxo-2H-pyrimidin-1-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylmethyl ester (98807-33-1) → 4,5-diphenyl-pyrrole-2,3-dicarboxylic acid (73799-66-3)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂O

2: ethanolic KOH

With potassium hydroxide; water;

Reference yield:

→ 4,5-diphenyl-pyrrole-2,3-dicarboxylic acid (73799-66-3)

Guidance literature:

upstream raw materials:

4,5-diphenyl-pyrrole-2,3-dicarboxylic acid-3-ethyl ester

4-Methyl-benzoic acid (3aR,4R,6R,6aR)-6-(4-benzoylamino-2-oxo-2H-pyrimidin-1-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylmethyl ester

Downstream raw materials:

2,3-diphenyl-1H-pyrrole

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