3-Amino-5-hydroxybenzoic acid

Base Information

• Chemical Name: 3-Amino-5-hydroxybenzoic acid
• CAS No.: 76045-71-1
• Molecular Formula: C7H7NO3
• Molecular Weight: 153.137
• Hs Code.: 2922509090
• European Community (EC) Number: 822-406-4
• DSSTox Substance ID: DTXSID20226947
• Nikkaji Number: J35.813D
• Wikidata: Q27110106
• Metabolomics Workbench ID: 54080
• Mol file: 76045-71-1.mol

Synonyms:3-AHBA;3-amino-5-hydroxybenzoic acid

Chemical Property of 3-Amino-5-hydroxybenzoic acid

Chemical Property:

• Vapor Pressure: 5.2E-09mmHg at 25°C
• Melting Point: 242 °C
• Refractive Index: 1.691
• Boiling Point: 453.4 °C at 760 mmHg
• PKA: 10.33±0.10(Predicted)
• Flash Point: 228 °C
• PSA: 83.55000
• Density: 1.491 g/cm³
• LogP: 1.25380
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 153.042593085
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

97% ^*data from raw suppliers

3-Amino-5-hydroxybenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1N)O)C(=O)O
• Uses: 3-Amino-5-hydroxybenzoic Acid is used in preparation of Meta-azacyclic Amino Benzoic Acid derivative as pan integrin antagonists useful in treating diseases.

Technology Process of 3-Amino-5-hydroxybenzoic acid

There total 12 articles about 3-Amino-5-hydroxybenzoic 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: 100.0%

3-hydroxy-5-nitrobenzoic acid (78238-14-9) → 3-amino-5-hydroxybenzoic acid (76045-71-1)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 0.25h; under 760 Torr;

Reference yield: 96.0%

3-amino-5-hydroxybenzoic acid hydrochloride (14206-69-0) → 3-amino-5-hydroxybenzoic acid (76045-71-1)

Guidance literature:

With sodium hydroxide; In water;

DOI:10.1016/S0040-4020(01)88639-7

Reference yield: 95.0%

5-deoxy-5-amino-3-dehydroshikimic acid (141726-22-9) → 3-amino-5-hydroxybenzoic acid (76045-71-1)

Guidance literature:

With Tris buffer; at 28 ℃; for 10h; cell-free extract of N_. mediterranei;

DOI:10.1021/ja00038a090

upstream raw materials:

3-hydroxy-5-nitrobenzoic acid

3-amino-5-hydroxybenzoic acid hydrochloride

5-deoxy-5-amino-3-dehydroshikimic acid

D-ribose 5-phosphate

Downstream raw materials:

3-(2-Chloro-acetoxy)-5-(2-chloro-acetylamino)-benzoic acid

N-benzoyl-N'-(5-hydroxy-3-carboxyphenyl)thiourea

3-hydroxy-5-[[(methylamino)thioxomethyl]amino]benzoic acid

N-(5-hydroxy-3-carboxyphenyl)thiourea