Heptanamide, N-(2-((4-chloro-2-(2-chlorobenzoyl)phenyl)methylamino)-2-oxoethyl)-

Base Information

• Chemical Name: Heptanamide, N-(2-((4-chloro-2-(2-chlorobenzoyl)phenyl)methylamino)-2-oxoethyl)-
• CAS No.: 65808-71-1
• Molecular Formula: C23H26Cl2N2O3
• Molecular Weight: 449.3701
• DSSTox Substance ID: DTXSID40215999
• Wikidata: Q83092123
• ChEMBL ID: CHEMBL422245
• Mol file: 65808-71-1.mol

Synonyms:BRN 5157491;Heptanamide, N-(2-((4-chloro-2-(2-chlorobenzoyl)phenyl)methylamino)-2-oxoethyl)-;N-(2-((4-Chloro-2-(2-chlorobenzoyl)phenyl)methylamino)-2-oxoethyl)heptanamide;65808-71-1;C23H26Cl2N2O3;CHEMBL422245;DTXSID40215999;C23-H26-Cl2-N2-O3;LS-74253

Chemical Property of Heptanamide, N-(2-((4-chloro-2-(2-chlorobenzoyl)phenyl)methylamino)-2-oxoethyl)-

Chemical Property:

• Vapor Pressure: 2.61E-17mmHg at 25°C
• Boiling Point: 660.4°Cat760mmHg
• Flash Point: 353.2°C
• Density: 1.232g/cm³
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 448.1320481
• Heavy Atom Count: 30
• Complexity: 587

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Heptanamide, N-(2-((4-chloro-2-(2-chlorobenzoyl)phenyl)methylamino)-2-oxoethyl)-

There total 3 articles about Heptanamide, N-(2-((4-chloro-2-(2-chlorobenzoyl)phenyl)methylamino)-2-oxoethyl)- 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: 93.2%

4-chloro-2-(o-chlorobenzoyl)-N-methyl-Nα-glycinanilide hydrobromide (59180-41-5) → Heptanoic acid ({[4-chloro-2-(2-chloro-benzoyl)-phenyl]-methyl-carbamoyl}-methyl)-amide (65808-71-1)

Guidance literature:

In N,N-dimethyl-formamide; for 3.5h; Ambient temperature;

DOI:10.1021/jm00133a006

Reference yield:

4-chloro-2-(o-chlorobenzoyl)-Nα-(benzyloxycarbonyl)glycinanilide (29176-39-4) → Heptanoic acid ({[4-chloro-2-(2-chloro-benzoyl)-phenyl]-methyl-carbamoyl}-methyl)-amide (65808-71-1)

Guidance literature:

Multi-step reaction with 3 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: 93.2 percent / dimethylformamide / 3.5 h / Ambient temperature

With hydrogen bromide; sodium hydride; In acetic acid; N,N-dimethyl-formamide;

DOI:10.1021/jm00133a006

Reference yield:

4-chloro-2-(o-chlorobenzoyl)-N-methyl-Nα-(benzyloxycarbonyl)glycinanilide (74601-56-2) → Heptanoic acid ({[4-chloro-2-(2-chloro-benzoyl)-phenyl]-methyl-carbamoyl}-methyl)-amide (65808-71-1)

Guidance literature:

Multi-step reaction with 2 steps

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

2: 93.2 percent / dimethylformamide / 3.5 h / Ambient temperature

With hydrogen bromide; In acetic acid; N,N-dimethyl-formamide;

DOI:10.1021/jm00133a006

upstream raw materials:

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

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

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

Refernces