N-Acetoxy-N-acetyl-o-toluidine

Base Information

• Chemical Name: N-Acetoxy-N-acetyl-o-toluidine
• CAS No.: 112077-92-6
• Molecular Formula: C₁₁H₁₃NO₃
• Molecular Weight: 207.229
• UNII: 1F01W7Q37K
• DSSTox Substance ID: DTXSID50149857
• Wikidata: Q27893385
• Mol file: 112077-92-6.mol

Synonyms:N-Acetoxy-N-acetyl-o-toluidine;112077-92-6;(N-acetyl-2-methylanilino) acetate;1F01W7Q37K;N-ACETOXY-N-ACETYL-ORTHO-TOLUIDINE;CCRIS 1239;UNII-1F01W7Q37K;SCHEMBL7540503;DTXSID50149857;Acetamide, N-(acetyloxy)-N-(2-methylphenyl)-;Q27893385

Chemical Property of N-Acetoxy-N-acetyl-o-toluidine

Chemical Property:

• Vapor Pressure: 0.00243mmHg at 25°C
• Boiling Point: 287.8°Cat760mmHg
• Flash Point: 127.9°C
• PSA: 46.61000
• Density: 1.168g/cm³
• LogP: 1.82600
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 207.08954328
• Heavy Atom Count: 15
• Complexity: 252

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1N(C(=O)C)OC(=O)C

Technology Process of N-Acetoxy-N-acetyl-o-toluidine

There total 3 articles about N-Acetoxy-N-acetyl-o-toluidine 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%

1-methyl-2-nitrobenzene (88-72-2) + acetic anhydride (108-24-7) → N-(2-methylphenyl)acetamide (120-66-1) + N-acetoxy-N-(o-tolyl)acetamide (112077-92-6)

Guidance literature:

With indium; acetic acid; In methanol; at 20 ℃; for 1.5h;

DOI:10.1016/S0040-4039(02)02479-6

Reference yield:

2-nitrosotoluene (611-23-4) → N-acetoxy-N-(o-tolyl)acetamide (112077-92-6)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid / water / 12 h / 20 °C / Irradiation

2: triethylamine / 1 h / 0 - 20 °C

With acetic acid; triethylamine; In water;

DOI:10.1039/d0ob02364g

Reference yield:

N-ethanoyl-2-methylphenylhydroxyamine (70786-65-1) + acetyl chloride (75-36-5) → N-acetoxy-N-(o-tolyl)acetamide (112077-92-6)

Guidance literature:

With triethylamine; at 0 - 20 ℃; for 1h;

DOI:10.1039/d0ob02364g

upstream raw materials:

1-methyl-2-nitrobenzene

acetic anhydride

N-ethanoyl-2-methylphenylhydroxyamine

acetyl chloride