3-Chloro-N-(6-chloro-o-tolyl)propionamide

Base Information

• Chemical Name: 3-Chloro-N-(6-chloro-o-tolyl)propionamide
• CAS No.: 39590-62-0
• Molecular Formula: C10H11Cl2NO
• Molecular Weight: 232.109
• Hs Code.: 2924299090
• European Community (EC) Number: 254-533-0
• NSC Number: 165795
• UNII: F7SW4Y7XCS
• DSSTox Substance ID: DTXSID80960198
• Nikkaji Number: J261.398K
• Wikidata: Q82941285
• Mol file: 39590-62-0.mol

Synonyms:39590-62-0;3-chloro-n-(2-chloro-6-methylphenyl)propanamide;3-Chloro-N-(6-chloro-o-tolyl)propionamide;NSC-165795;NSC165795;F7SW4Y7XCS;SCHEMBL11190523;DTXSID80960198;EINECS 254-533-0;AKOS003108387;NSC 165795;3-chloro-n-(6-chloro-o-tolyl)propanamide;3-Chloro-N-(2-chloro-6-methylphenyl)propanimidic acid;Propanamide, 3-chloro-N-(2-chloro-6-methylphenyl)-

Chemical Property of 3-Chloro-N-(6-chloro-o-tolyl)propionamide

Chemical Property:

• Vapor Pressure: 1.1E-05mmHg at 25°C
• Boiling Point: 370.6°Cat760mmHg
• Flash Point: 177.9°C
• PSA: 29.10000
• Density: 1.299g/cm³
• LogP: 3.28880
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 231.0217694
• Heavy Atom Count: 14
• Complexity: 199

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)Cl)NC(=O)CCCl

Technology Process of 3-Chloro-N-(6-chloro-o-tolyl)propionamide

There total 1 articles about 3-Chloro-N-(6-chloro-o-tolyl)propionamide 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: 56.0%

2-chloropropionyl chloride (625-36-5) + 2-chloro-6-methylaniline (87-63-8) → 3-chloro-N-(2-chloro-6-methyl-phenyl)-propionamide (39590-62-0)

Guidance literature:

With acetic acid; for 1.5h;

DOI:10.1016/j.farmac.2003.07.011

Reference yield: 57.0%

1H-imidazole (288-32-4) + 3-chloro-N-(2-chloro-6-methyl-phenyl)-propionamide (39590-62-0) → N-(2-chloro-6-methyl-phenyl)-3-imidazol-1-yl-propionamide

Guidance literature:

In benzene; for 9h; Heating;

DOI:10.1016/j.farmac.2003.07.011

Reference yield: 41.0%

potassium phtalimide (1074-82-4) + 3-chloro-N-(2-chloro-6-methyl-phenyl)-propionamide (39590-62-0) → N-(2-chloro-6-methyl-phenyl)-3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propionamide

Guidance literature:

In N,N-dimethyl-formamide; for 5h; Heating;

DOI:10.1002/ardp.200300823

upstream raw materials:

2-chloropropionyl chloride

2-chloro-6-methylaniline

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