Acetanilide, 4'-chloro-2'-(o-chlorobenzoyl)-2-(2-(diethylamino)acetamido)-N-methyl-

Base Information

• Chemical Name: Acetanilide, 4'-chloro-2'-(o-chlorobenzoyl)-2-(2-(diethylamino)acetamido)-N-methyl-
• CAS No.: 59180-46-0
• Molecular Formula: C22H25Cl2N3O3
• Molecular Weight: 450.3582
• DSSTox Substance ID: DTXSID00207916
• Wikidata: Q83081928
• Mol file: 59180-46-0.mol

Synonyms:BRN 5162160;Glycinamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-N,N-diethylglycyl-N-methyl-;N-(4-Chloro-2-(2-chlorobenzoyl)phenyl)-N,N-diethylglycyl-N-methylglycinamide;Acetamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-2-(((diethylamino)acetyl)amino)-N-methyl-;Acetanilide, 4'-chloro-2'-(o-chlorobenzoyl)-2-(2-(diethylamino)acetamido)-N-methyl-;59180-46-0;C22H25Cl2N3O3;DTXSID00207916;C22-H25-Cl2-N3-O3;LS-72174

Chemical Property of Acetanilide, 4'-chloro-2'-(o-chlorobenzoyl)-2-(2-(diethylamino)acetamido)-N-methyl-

Chemical Property:

• Vapor Pressure: 2.18E-15mmHg at 25°C
• Boiling Point: 621.9°Cat760mmHg
• Flash Point: 329.9°C
• Density: 1.267g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 449.1272971
• Heavy Atom Count: 30
• Complexity: 600

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN(CC)CC(=O)NC(=O)CN(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl

Technology Process of Acetanilide, 4'-chloro-2'-(o-chlorobenzoyl)-2-(2-(diethylamino)acetamido)-N-methyl-

There total 4 articles about Acetanilide, 4'-chloro-2'-(o-chlorobenzoyl)-2-(2-(diethylamino)acetamido)-N-methyl- 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: 88.9%

4-chloro-2-(o-chlorobenzoyl)-N-methyl-Nα-(iodoacetyl)glycinanilide (59180-43-7) + diethylamine (109-89-7) → N-({[4-Chloro-2-(2-chloro-benzoyl)-phenyl]-methyl-carbamoyl}-methyl)-2-diethylamino-acetamide (59180-46-0)

Guidance literature:

In methanol; ethanol; chloroform; for 3h; Ambient temperature;

DOI:10.1021/jm00133a006

Reference yield:

4-chloro-2-(o-chlorobenzoyl)-Nα-(benzyloxycarbonyl)glycinanilide (29176-39-4) → N-({[4-Chloro-2-(2-chloro-benzoyl)-phenyl]-methyl-carbamoyl}-methyl)-2-diethylamino-acetamide (59180-46-0)

Guidance literature:

Multi-step reaction with 5 steps

1: 1.) NaH / 1.) DMF, oil, 2-5 deg C, 15 min, 2.) DMF, oil, 2-5 deg C, 2 h

2: 97 percent / 20percent HBr / acetic acid / 1 h / Ambient temperature

3: 89 percent / hexamethylphosphoric acid triamide / 5 h

4: 91.5 percent / KI / acetone / 1 h / Heating

5: 88.9 percent / ethanol; CHCl₃; methanol / 3 h / Ambient temperature

With hydrogen bromide; sodium hydride; potassium iodide; In methanol; N,N,N,N,N,N-hexamethylphosphoric triamide; ethanol; chloroform; acetic acid; acetone;

DOI:10.1021/jm00133a006

Reference yield:

4-chloro-2-(o-chlorobenzoyl)-N-methyl-Nα-(chloroacetyl)glycinanilide (59180-42-6) → N-({[4-Chloro-2-(2-chloro-benzoyl)-phenyl]-methyl-carbamoyl}-methyl)-2-diethylamino-acetamide (59180-46-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 91.5 percent / KI / acetone / 1 h / Heating

2: 88.9 percent / ethanol; CHCl₃; methanol / 3 h / Ambient temperature

With potassium iodide; In methanol; ethanol; chloroform; acetone;

DOI:10.1021/jm00133a006

upstream raw materials:

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

diethylamine

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

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