3-Acetamido-5-aminobenzoic acid

Base Information

• Chemical Name: 3-Acetamido-5-aminobenzoic acid
• CAS No.: 15089-84-6
• Molecular Formula: C9H10 N2 O3
• Molecular Weight: 194.19
• European Community (EC) Number: 239-143-0
• NSC Number: 15500
• UNII: B4RDY5R28N
• DSSTox Substance ID: DTXSID5065855
• Nikkaji Number: J241.389B
• Wikidata: Q72433979
• Mol file: 15089-84-6.mol

Synonyms:3-Acetamido-5-aminobenzoic acid;15089-84-6;Benzoic acid, 3-(acetylamino)-5-amino-;3-Amino-5-acetamidobenzoic acid;3-Acetylamino-5-aminobenzoic acid;Benzoic acid, 3-acetamido-5-amino-;EINECS 239-143-0;NSC 15500;NSC-15500;NSC15500;B4RDY5R28N;SCHEMBL5108982;DTXSID5065855;3-amino-5-acetylaminobenzoic acid;3-acetylamino-5-amino-benzoic acid;3-(Acetylamino)-5-aminobenzoic acid;AKOS006275170

Chemical Property of 3-Acetamido-5-aminobenzoic acid

Chemical Property:

• Vapor Pressure: 6.29E-12mmHg at 25°C
• Melting Point: 232-235℃
• Boiling Point: 526.8°Cat760mmHg
• Flash Point: 272.4°C
• PSA: 92.42000
• Density: 1.414g/cm³
• LogP: 1.57960
• Solubility.: DMSO
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 194.06914219
• Heavy Atom Count: 14
• Complexity: 242

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC(=CC(=C1)N)C(=O)O
• Uses: 3-Amino-5-acetamidobenzoic Acid is an intermediate in the synthesis of 4-Deiodo-amidotrizoic Acid (D230440), obtained from 3,5-Dinitrobenzenemethanol. It can also be used in biological study for quality environmental risk assessment of photolytic transformation products of iodinated X-ray contrast agent diatrizoic acid.

Technology Process of 3-Acetamido-5-aminobenzoic acid

There total 3 articles about 3-Acetamido-5-aminobenzoic 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:

3-acetylamino-5-nitro-benzoic acid (5464-58-4) → 3-acetylamino-5-aminobenzoic acid (15089-84-6)

Guidance literature:

With nickel; hydrazine hydrate;

DOI:10.1021/ja01594a066

Reference yield:

3-amino-5-nitro-benzoic acid (618-84-8) → 3-acetylamino-5-aminobenzoic acid (15089-84-6)

Guidance literature:

Multi-step reaction with 2 steps

2: FeSO₄; NH₃

With ammonia; iron(II) sulfate;

Reference yield:

→ 3-acetylamino-5-aminobenzoic acid (15089-84-6)

Guidance literature:

3,5-Diaminobenzoesaeure, Ac2O, wss. Mineralsaeure;

upstream raw materials:

3-acetylamino-5-nitro-benzoic acid

3-amino-5-nitro-benzoic acid

Downstream raw materials:

3-{2-[5-methyl-2-(4-fluorobenzyloxy)phenyl]-5-methyl-pyrrol-1-yl}-5-acetylaminobenzoic acid

3-{2-[5-chloro-2-(2,3-difluorobenzyloxy)phenyl]-5-methyl-pyrrol-1-yl}-5-acetylaminobenzoic acid

3-{2-[5-chloro-2-(2,6-difluorobenzyloxy)phenyl]-5-methyl-pyrrol-1-yl}-5-acetylaminobenzoic acid

3-{2-[5-chloro-2-(4-bromo-2-fluorobenzyloxy)phenyl]-5-methyl-pyrrol-1-yl}-5-acetylaminobenzoic acid

Refernces