METHYL 5-AMINOSALICYLATE

Base Information

• Chemical Name: METHYL 5-AMINOSALICYLATE
• CAS No.: 42753-75-3
• Molecular Formula: C8H9 N O3
• Molecular Weight: 167.164
• Hs Code.: 2922509090
• European Community (EC) Number: 626-244-3
• DSSTox Substance ID: DTXSID10195416
• Nikkaji Number: J89.490G
• Mol file: 42753-75-3.mol

Synonyms:Methyl2-hydroxy-5-aminobenzoate; Methyl 5-amino-2-hydroxybenzoate; Methyl5-aminosalicylate; Methyl m-aminosalicylate

Chemical Property of METHYL 5-AMINOSALICYLATE

Chemical Property:

• Vapor Pressure: 0.000184mmHg at 25°C
• Melting Point: 95-99oC(lit.)
• Boiling Point: 319.2°Cat760mmHg
• PKA: 10.02±0.18(Predicted)
• Flash Point: 146.8°C
• PSA: 72.55000
• Density: 1.305g/cm³
• LogP: 1.34220
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 167.058243149
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

97% ^*data from raw suppliers

5-Amino-2-hydroxybenzoicAcidMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38-43
• Safety Statements: 26

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)C1=C(C=CC(=C1)N)O
• Uses: 5-Amino-2-hydroxybenzoic Acid Methyl Ester is disubsituted benzoic acid used in the preparation of various pharmaceutical compounds such as sphingosine kinase inhibitors.

Technology Process of METHYL 5-AMINOSALICYLATE

There total 12 articles about METHYL 5-AMINOSALICYLATE 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: 98.0%

methanol (67-56-1) + 5-Aminosalicylic Acid (89-57-6) → methyl 5-amino-2-hydroxybenzoate (42753-75-3)

Guidance literature:

With sulfuric acid; at 85 ℃; for 19h;

DOI:10.1021/jo200692c

Reference yield: 96.0%

methyl 2-hydroxy-5-nitrobenzoate (17302-46-4) → methyl 5-amino-2-hydroxybenzoate (42753-75-3)

Guidance literature:

With 20 % Pd(OH)2/C; hydrogen; In methanol; for 12h; under 750.075 Torr;

DOI:10.1002/adsc.201000493

Reference yield: 62.0%

methanol (67-56-1) + 5-Methylsalicylic acid (89-56-5) → methyl 5-amino-2-hydroxybenzoate (42753-75-3)

Guidance literature:

methanol; 5-Methylsalicylic acid; With sulfuric acid; Reflux;

With sodium hydroxide; In methanol; dichloromethane; water; pH=7;

upstream raw materials:

methanol

5-Aminosalicylic Acid

methyl 3-nitrobenzoate

p-aminophenol hydrochloride

Downstream raw materials:

methyl 5-chloroacetamidosalicylate

methyl 5-amino>salicylate

5-<<<(2,6-dichlorophenyl)amino>phenyl>acetylamino>-salicylic acid methyl ester

methyl 2-hydroxy-5-isopropylaminobenzoate