2-(2,5-Dioxo-2,5-dihydro-1h-pyrrol-1-yl)benzoic acid

Base Information

• Chemical Name: 2-(2,5-Dioxo-2,5-dihydro-1h-pyrrol-1-yl)benzoic acid
• CAS No.: 6957-51-3
• Molecular Formula: C11H7 N O4
• Molecular Weight: 217.181
• NSC Number: 65907
• DSSTox Substance ID: DTXSID50989619
• Nikkaji Number: J3.067.108B
• Wikidata: Q82978813

Synonyms:2-(2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)benzoic acid;6957-51-3;maleimidobenzoic acid;C11H7NO4;2-(2,5-dioxopyrrol-1-yl)benzoic acid;NSC65907;NCIOpen2_002949;SCHEMBL183052;DTXSID50989619;AENZGWONVTXLRC-UHFFFAOYSA-N;NSC-65907;STL353209;AKOS000142275;2,5-dioxo-2H-pyrrol-1(5H)-benzoic acid

Chemical Property of 2-(2,5-Dioxo-2,5-dihydro-1h-pyrrol-1-yl)benzoic acid

Chemical Property:

• Vapor Pressure: 9.52E-08mmHg at 25°C
• Boiling Point: 418.4°C at 760 mmHg
• Flash Point: 206.8°C
• Density: 1.521g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 217.03750770
• Heavy Atom Count: 16
• Complexity: 356

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)N2C(=O)C=CC2=O

Technology Process of 2-(2,5-Dioxo-2,5-dihydro-1h-pyrrol-1-yl)benzoic acid

There total 2 articles about 2-(2,5-Dioxo-2,5-dihydro-1h-pyrrol-1-yl)benzoic 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: 76.0%

2-{[(2Z)-3-carboxyprop-2-enoyl]amino}benzoic acid (62530-49-8) → 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid (6957-51-3)

Guidance literature:

With sodium acetate; acetic anhydride; at 75 ℃; for 0.166667h;

Reference yield: 43.0%

maleic anhydride (108-31-6) + anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 2-{[(2Z)-3-carboxyprop-2-enoyl]amino}benzoic acid (62530-49-8) + 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid (6957-51-3)

Guidance literature:

With acetic acid; at 120 - 125 ℃; for 16h;

DOI:10.1039/c2ob25314c

Reference yield: 92.0%

2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid (6957-51-3) → 2-(3-chloro-2,5-dioxopyrrolidin-1-yl)benzoyl chloride (1379147-94-0)

Guidance literature:

With thionyl chloride; In dichloromethane; at 20 ℃; for 16h;

DOI:10.1039/c2ob25314c

upstream raw materials:

2-{[(2Z)-3-carboxyprop-2-enoyl]amino}benzoic acid

maleic anhydride

anthranilic acid

Downstream raw materials:

2-(2,5-Dioxo-2,5-dihydro-pyrrol-1-yl)-benzoic acid 2,5-dioxo-pyrrolidin-1-yl ester

3-Oxo-2,3-dihydro-1,4-benzothiazin-2-yl-acetyl-anthranilsaeure

maleimido-benzoyl chloride

2-(3-chloro-2,5-dioxopyrrolidin-1-yl)benzoyl chloride

Refernces

Phage-display selection of a human single-chain Fv antibody highly specific for melanoma and breast cancer cells using a chemoenzymatically synthesized G_M3-carbohydrate antigen

10.1021/ja020737j

The investigators used a chemoenzymatic approach to synthesize two GM3-derived reagents, GM3-A and GM3-B, which were then employed to pan a phage-displayed human scFv antibody library derived from cancer patients. The study successfully isolated and characterized three scFv-phage clones, GM3A6, GM3A8, and GM3A15, with GM3A8 showing the highest specificity for tumor cells and no reactivity against normal human cells, making it a promising candidate for immunotherapeutic applications. Key chemicals used in the process included lactosyl bromide, CMP-sialic acid, R-2,3-sialyltransferase, maleimidobenzoic acid, bovine serum albumin (BSA), and various solvents and reagents.

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