5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzene-1,3-dicarboxylic acid

Base Information

• Chemical Name: 5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzene-1,3-dicarboxylic acid
• CAS No.: 55738-70-0
• Molecular Formula: C12H7NO6
• Molecular Weight: 261.191
• DSSTox Substance ID: DTXSID60444466
• Nikkaji Number: J2.068.398H
• Wikidata: Q82262604
• ChEMBL ID: CHEMBL296553

Synonyms:55738-70-0;5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzene-1,3-dicarboxylic acid;5-(2,5-dioxopyrrol-1-yl)benzene-1,3-dicarboxylic Acid;5-maleimidylisophthalic acid;CHEMBL296553;SCHEMBL11416336;DTXSID60444466;CHTJKKKLRNPKNB-UHFFFAOYSA-N;5-(N-Maleimideyl)isophthalic acid;1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-;AKOS003148993;3,5-bis(carboxyl acid)-phenyl-3-maleimide;EN300-135131;Z594182648;5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzene-1,3-dicarboxylicacid

Chemical Property of 5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzene-1,3-dicarboxylic acid

Chemical Property:

• Boiling Point: 605.1±50.0 °C(Predicted)
• PSA: 111.98000
• Density: 1.681±0.06 g/cm3(Predicted)
• LogP: 0.57740
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 261.02733694
• Heavy Atom Count: 19
• Complexity: 443

Purity/Quality:

97% ^*data from raw suppliers

5-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzene-1,3-dicarboxylicacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=O)N(C1=O)C2=CC(=CC(=C2)C(=O)O)C(=O)O

Technology Process of 5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzene-1,3-dicarboxylic acid

There total 4 articles about 5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzene-1,3-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: 77.0%

5-[(3-carboxy-1-oxo-2-propen-1-yl)amino]isophthalic acid → 5-maleimidoisophthalic acid (55738-70-0)

Guidance literature:

With sodium acetate; acetic anhydride; at 60 - 70 ℃; for 4.5h;

DOI:10.1016/j.jinorgbio.2018.12.011

Reference yield: 75.0%

5-{[(2Z)-3-carboxyprop-2-enoyl]amino}benzene-1,3-dicarboxylic acid → 5-maleimidoisophthalic acid (55738-70-0)

Guidance literature:

With sodium acetate; acetic anhydride; at 90 ℃; for 2h;

DOI:10.1021/jm950872p

Reference yield:

5-aminoisophthalic acid (99-31-0) → 5-maleimidoisophthalic acid (55738-70-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 73 percent / glacial acetic acid / Ambient temperature

2: 75 percent / Ac₂O, NaOAC / 2 h / 90 °C

With sodium acetate; acetic anhydride; acetic acid;

DOI:10.1021/jm950872p

upstream raw materials:

5-aminoisophthalic acid

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