Acetamide, 2-(acetylamino)-N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-

Base Information

• Chemical Name: Acetamide, 2-(acetylamino)-N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-
• CAS No.: 76337-77-4
• Molecular Formula: C17H14 Cl2 N2 O3
• Molecular Weight: 0
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID80227197
• Wikidata: Q83106876
• ChEMBL ID: CHEMBL91511
• Mol file: 76337-77-4.mol

Synonyms:76337-77-4;BRN 5117896;Acetamide, 2-(acetylamino)-N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-;4-Chloro-2-(o-chlorobenzoyl)-N(sup alpha)-acetylglycinanilide;2-(Acetylamino)-N-(4-chloro-2-(2-chlorobenzoyl)phenyl)acetamide;N~2~-acetyl-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]glycinamide;CHEMBL91511;DTXSID80227197;LS-7944

Chemical Property of Acetamide, 2-(acetylamino)-N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-

Chemical Property:

• Vapor Pressure: 2.42E-18mmHg at 25°C
• Boiling Point: 679.9°C at 760 mmHg
• Flash Point: 365°C
• PSA: 82.25000
• Density: 1.386g/cm³
• LogP: 4.78880
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 364.0381477
• Heavy Atom Count: 24
• Complexity: 487

Purity/Quality:

2-(ACETYLAMINO)-N-(4-CHLORO-2-(2-CHLOROBENZOYL)PHENYL)ACETAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NCC(=O)NC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl

Technology Process of Acetamide, 2-(acetylamino)-N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-

There total 2 articles about Acetamide, 2-(acetylamino)-N-(4-chloro-2-(2-chlorobenzoyl)phenyl)- 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: 89.3%

4-chloro-2-(o-chlorobenzoyl)-N-glycinanilide hydrobromide (76337-73-0) + acetyl chloride (75-36-5) → 4-chloro-2-(o-chlorobenzoyl)-Nα-acetylglycinanilide (76337-77-4)

Guidance literature:

In N,N,N,N,N,N-hexamethylphosphoric triamide; for 3h; Ambient temperature;

DOI:10.1021/jm00133a006

Reference yield:

4-chloro-2-(o-chlorobenzoyl)-Nα-(benzyloxycarbonyl)glycinanilide (29176-39-4) → 4-chloro-2-(o-chlorobenzoyl)-Nα-acetylglycinanilide (76337-77-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 94.8 percent / 30percent HBr / acetic acid / 1.5 h / Ambient temperature

2: 89.3 percent / hexamethylphosphoric acid triamide / 3 h / Ambient temperature

With hydrogen bromide; In N,N,N,N,N,N-hexamethylphosphoric triamide; acetic acid;

DOI:10.1021/jm00133a006

upstream raw materials:

4-chloro-2-(o-chlorobenzoyl)-N-glycinanilide hydrobromide

acetyl chloride

4-chloro-2-(o-chlorobenzoyl)-N^α-(benzyloxycarbonyl)glycinanilide

Refernces