Benzoic acid, 2-(acetyloxy)-5-amino-

Base Information

• Chemical Name: Benzoic acid, 2-(acetyloxy)-5-amino-
• CAS No.: 99450-52-9
• Molecular Formula: C₉H₉NO₄
• Molecular Weight: 195.175
• DSSTox Substance ID: DTXSID20521242
• Nikkaji Number: J516.686A
• Wikidata: Q82385608

Synonyms:acetyl-5-aminosalicylic acid;acetyl-5-ASA

Chemical Property of Benzoic acid, 2-(acetyloxy)-5-amino-

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 195.05315777
• Heavy Atom Count: 14
• Complexity: 241

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=C(C=C(C=C1)N)C(=O)O

Technology Process of Benzoic acid, 2-(acetyloxy)-5-amino-

There total 1 articles about Benzoic acid, 2-(acetyloxy)-5-amino- 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:

→ mesalazine (99450-52-9)

Guidance literature:

Reference yield:

mesalazine (99450-52-9) → Acetic acid 4-[2-(4-chloro-phenoxy)-acetylamino]-2-(2-diethylamino-ethylcarbamoyl)-phenyl ester (70853-52-0)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / CHCl₃ / 5 h / Heating

2: triethylamine, ethyl chloroformate / CH₂Cl₂ / 1 h

With chloroformic acid ethyl ester; triethylamine; In dichloromethane; chloroform;

DOI:10.1021/jm00361a022

Reference yield:

mesalazine (99450-52-9) + 4-chlorophenyloxyacetyl chloride (4122-68-3) → 5-(p-Chlorphenoxyacetamido)-2-acetylbenzoesaeure (70853-37-1)

Guidance literature:

With triethylamine; In chloroform; for 5h; Heating;

DOI:10.1021/jm00361a022

Downstream raw materials:

5-(p-Chlorphenoxyacetamido)-2-acetylbenzoesaeure

Acetic acid 4-[2-(4-chloro-phenoxy)-acetylamino]-2-(2-diethylamino-ethylcarbamoyl)-phenyl ester

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