3-Aminosalicylamide

Base Information

• Chemical Name: 3-Aminosalicylamide
• CAS No.: 467231-62-5
• Molecular Formula: C7H8N2O2
• Molecular Weight: 152.153
• DSSTox Substance ID: DTXSID80463992
• Wikidata: Q82289142
• Mol file: 467231-62-5.mol

Synonyms:3-aminosalicylamide;3-AMINO-2-HYDROXYBENZAMIDE;467231-62-5;BENZAMIDE, 3-AMINO-2-HYDROXY-;SCHEMBL2019650;DTXSID80463992;KHGLJFGSFNGDCE-UHFFFAOYSA-N;MB25600

Chemical Property of 3-Aminosalicylamide

Chemical Property:

• PSA: 90.33000
• LogP: 1.53870
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 152.058577502
• Heavy Atom Count: 11
• Complexity: 161

Purity/Quality:

3-amino-2-hydroxybenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)N)O)C(=O)N

Technology Process of 3-Aminosalicylamide

There total 3 articles about 3-Aminosalicylamide 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%

2-hydroxy-3-nitrobenzamide (2912-76-7) → 3-amino-2-hydroxybenzamide (467231-62-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; at 20 ℃;

DOI:10.1055/s-2002-25771

Reference yield: 95.0%

→ 3-amino-2-hydroxybenzamide (467231-62-5)

Guidance literature:

Reference yield:

2-hydroxy-3-nitro-benzoic acid methyl ester (22621-41-6) → 3-amino-2-hydroxybenzamide (467231-62-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: aq. NH₃ / 72 h / 20 °C

1.2: 95 percent / aq. AcOH / 5 h / 20 °C

2.1: 98 percent / H₂ / 10 percent Pd/C / ethyl acetate / 20 °C

With ammonium hydroxide; hydrogen; palladium on activated charcoal; In ethyl acetate;

DOI:10.1055/s-2002-25771

upstream raw materials:

2-hydroxy-3-nitrobenzamide

2-hydroxy-3-nitro-benzoic acid methyl ester