3-Aminosalicylic acid

Base Information

• Chemical Name: 3-Aminosalicylic acid
• CAS No.: 570-23-0
• Molecular Formula: C7H7NO3
• Molecular Weight: 153.137
• Hs Code.: 29225090
• European Community (EC) Number: 209-328-0,257-230-1
• NSC Number: 285111
• UNII: WN7T1GM9RM
• DSSTox Substance ID: DTXSID90862215
• Nikkaji Number: J26.980H
• Wikidata: Q27161513
• Metabolomics Workbench ID: 37957
• ChEMBL ID: CHEMBL1650630
• Mol file: 570-23-0.mol

Synonyms:3-Aminosalicylic acid;3-Amino-2-hydroxybenzoic acid;570-23-0;3-amino salicylic acid;Benzoic acid, 3-amino-2-hydroxy-;Salicylic acid, 3-amino-;3-amino-2-hydroxy-benzoic acid;WN7T1GM9RM;CHEMBL1650630;CHEBI:89327;EINECS 209-328-0;3-Amino-2-hydroxybenzoic acid (3-Aminosalicylic acid);NSC 285111;NSC-285111;3-Aminosalicylicacid;MFCD00010299;Benzoic acid, amino-2-hydroxy-;3-Aminosalicylate;3-amino-salicylate;3-Amino Salicylate;3-aminosalicyclic acid;3-amino-salicylic acid;Salicylic acid, amino-;UNII-WN7T1GM9RM;3-amino-(8CI)salicylate;3-amino-2-hydroxybenzoate;3-amino-2-hydroxy-benzoate;Oprea1_451884;3(Or 5)-aminosalicylic acid;3-amino-(8CI)salicylic acid;3-Aminosalicylic acid, 97%;SCHEMBL204392;2-hydroxy 3-aminobenzoic acid;3-AMINOSALICYLIC ACID,;2-hydroxy 3-amino benzoic acid;DTXSID90862215;3-Amino-2-hydroxybenzoic acid #;KUC106692N;3-amino-2-hydroxy-(9CI)benzoate;EINECS 257-230-1;BDBM50335811;NSC285111;STK677269;3-amino-2-hydroxy-(9CI)benzoic acid;AKOS005594690;AB01026;PS-5956;AC-23862;KSC-11-207-24;MESALAZINE IMPURITY F [EP IMPURITY];3-AMINOSALICYLIC ACID [USP IMPURITY];A0421;AM20080689;CS-0356699;FT-0615072;FT-0619948;EN300-111719;O10933;A831285;W-105491;Q27161513;Z1255423499;1CW

Chemical Property of 3-Aminosalicylic acid

Chemical Property:

• Appearance/Colour: light grey-green to dark beige powder
• Vapor Pressure: 2.51E-05mmHg at 25°C
• Melting Point: 240 °C (dec.)(lit.)
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 344.434 °C at 760 mmHg
• PKA: 2.13±0.10(Predicted)
• Flash Point: 162.108 °C
• PSA: 83.55000
• Density: 1.492 g/cm³
• LogP: 1.25380
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated)
• Water Solubility.: Slightly soluble in water
• XLogP3: 0.9
• 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:

99% ^*data from raw suppliers

3-Aminosalicylic acid 98+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)N)O)C(=O)O
• Uses: 3-Aminosalicylic acid acts as an oxygen, nitrogen donor ligand and forms complexes with silver. 3-Aminosalicylic acid is a building block that can be used to synthesize antimycin A3. It can also be used to synthesize 2-alkoxy-3-(arylaminomethylene)chroman-4-ones and 3-(aryliminomethyl)chromones by reacting with 3-formylchromones.

Technology Process of 3-Aminosalicylic acid

There total 15 articles about 3-Aminosalicylic 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: 91.0%

3-nitrosalicylic acid (85-38-1) → 3-aminosalicylic acid (570-23-0)

Guidance literature:

With palladium on activated charcoal; hydrogen; In tetrahydrofuran; for 3h; under 1292.9 Torr; Inert atmosphere;

DOI:10.1021/acs.orglett.6b00882

Reference yield: 72.3%

5-chloro-2-hydroxy-3-nitrobenzoic acid (7195-78-0) → 3-aminosalicylic acid (570-23-0)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 30 ℃; for 5h; under 3750.38 Torr; Reagent/catalyst; Temperature;

Reference yield: 71.2%

5-bromo-2-hydroxy-3-nitrobenzoic acid (10169-50-3) → 3-aminosalicylic acid (570-23-0)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 35 ℃; for 5h; under 3750.38 Torr;

upstream raw materials:

3-nitrosalicylic acid

antimycinic acid

methylammonium carbonate

2-amino-phenol

Downstream raw materials:

ethyl 3-amino-2-hydroxybenzoate

C₂₀H₁₈N₂O₅

2-methyl-benzoxazole-7-carboxylic acid

C₁₄H₁₀ClFN₂O₄