3-Acetoxybenzamide

Base Information

• Chemical Name: 3-Acetoxybenzamide
• CAS No.: 77719-00-7
• Molecular Formula: C₉H₉NO₃
• Molecular Weight: 179.175
• NSC Number: 123375
• DSSTox Substance ID: DTXSID10298476
• Wikidata: Q82040307
• Mol file: 77719-00-7.mol

Synonyms:3-acetoxybenzamide;77719-00-7;m-acetoxybenzamide;NSC123375;SCHEMBL2403571;DTXSID10298476;RAYNCJUZMAVTHF-UHFFFAOYSA-N;NSC-123375

Chemical Property of 3-Acetoxybenzamide

Chemical Property:

• Vapor Pressure: 0.000286mmHg at 25°C
• Boiling Point: 322.1°C at 760 mmHg
• Flash Point: 170.6°C
• Density: 1.229g/cm³
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 179.058243149
• Heavy Atom Count: 13
• Complexity: 215

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Acetoxybenzamide

There total 4 articles about 3-Acetoxybenzamide 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: 58.0%

3-hydroxybenzamide (618-49-5) + acetic anhydride (108-24-7) → m-acetoxybenzamide (77719-00-7)

Guidance literature:

With pyridine; at 0 ℃; for 4h;

Reference yield:

3-(chlorocarbonyl)phenyl acetate (16446-73-4) → m-acetoxybenzamide (77719-00-7)

Guidance literature:

With chloroform; ammonia;

Reference yield:

3-Carboxyphenol (99-06-9) → m-acetoxybenzamide (77719-00-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) thionyl chloride, 2.) ammonium hydroxide / 1.) reflux, 4 h, 2.) 0 deg C

2: 58 percent / pyridine / 4 h / 0 °C

With pyridine; ammonium hydroxide; thionyl chloride;

upstream raw materials:

3-(chlorocarbonyl)phenyl acetate

3-hydroxybenzamide

acetic anhydride

3-Carboxyphenol