4,4'-Iminodibenzoic acid

Base Information

• Chemical Name: 4,4'-Iminodibenzoic acid
• CAS No.: 20800-00-4
• Molecular Formula: C14H11 N O4
• Molecular Weight: 257.246
• Hs Code.: 2922499990
• ChEMBL ID: CHEMBL2040860
• DSSTox Substance ID: DTXSID00405697
• Nikkaji Number: J677.268D
• Wikidata: Q82210384
• Mol file: 20800-00-4.mol

Synonyms:4,4'-Iminodibenzoic acid;20800-00-4;4,4'-Azanediyldibenzoic acid;4-(4-carboxyanilino)benzoic acid;4-[(4-carboxyphenyl)amino]benzoic Acid;CHEMBL2040860;benzoic acid, 4,4'-iminobis-;4,4-Iminodibenzoicacid;di(p-carboxyphenyl)amine;4,4-azanediyldibenzoic acid;4,4'-Azanediyldibenzoicacid;4,4'-Iminobis-benzoic acid;SCHEMBL251773;YSZC1741;DTXSID00405697;BDBM50385705;AKOS004117347;BS-52189;FT-0712368;E84280

Chemical Property of 4,4'-Iminodibenzoic acid

Chemical Property:

• Melting Point: 322-324 °C
• Boiling Point: 514.3±35.0 °C(Predicted)
• PKA: 4.32±0.10(Predicted)
• Flash Point: 264.9oC
• PSA: 86.63000
• Density: 1.424±0.06 g/cm3(Predicted)
• LogP: 2.89960
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 257.06880783
• Heavy Atom Count: 19
• Complexity: 296

Purity/Quality:

98% ^*data from raw suppliers

4,4'-IMINODIBENZOIC ACID 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)O)NC2=CC=C(C=C2)C(=O)O

Technology Process of 4,4'-Iminodibenzoic acid

There total 6 articles about 4,4'-Iminodibenzoic 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: 89.4%

→ 4-[(4-carboxyphenyl)amino]benzoic acid (20800-00-4)

Guidance literature:

Reference yield: 87.0%

4-[(4-(methoxycarbonyl)phenyl)amino]benzoic acid methyl ester (17104-81-3) → 4-[(4-carboxyphenyl)amino]benzoic acid (20800-00-4)

Guidance literature:

4-[(4-(methoxycarbonyl)phenyl)amino]benzoic acid methyl ester; With potassium hydroxide; In ethanol; water; at 20 - 100 ℃; Inert atmosphere;

With hydrogenchloride; In water; at 0 ℃; pH=2; Inert atmosphere;

DOI:10.1021/jm201547v

Reference yield:

N,N,N'-triphenylurea (5663-04-7) → 4-[(4-carboxyphenyl)amino]benzoic acid (20800-00-4)

Guidance literature:

With carbon dioxide; potassium carbonate; at 240 - 250 ℃; under 32362.3 - 33833.4 Torr;

upstream raw materials:

N,N,N'-triphenylurea

N,N-bis-(4-tolyl)acetamide

4-methoxycarbonylphenyl bromide

4-methoxycarbonyl aniline

Downstream raw materials:

4-[(4-(methoxycarbonyl)phenyl)amino]benzoic acid methyl ester

Refernces

• 1、 -. "DIPHENYLAMINE DERIVATIVES". Page/Page column 25. . Retrieved 2010/02/11.