2-Chloro-N-(2,6-diethylphenyl)acetamide

Solid

Solid

N-(2,6-diethylphenyl)-2-chloroacetamide is an aromatic amide obtained by formal condensation of the carboxy group of chloroacetic acid with the amnio group of 2,6-diethylaniline. It has a role as a bacterial xenobiotic metabolite, a human xenobiotic metabolite, a rat metabolite, a fungal xenobiotic metabolite, a genotoxin and a carcinogenic agent. It is an organochlorine compound and an aromatic amide. It derives from a chloroacetic acid.

The preparation method is to add xylene and chloroacetic acid into the reaction kettle, heat it for a certain period of time and then move it to another reaction kettle, add 2, 6-diethylaniline, add phosphorus trichloride dropwise under stirring, and react for a certain time at elevated temperature. Then slowly add water, stand still for layering, transfer the xylene solution to the crystallization kettle to disassemble the crystals, and filter to obtain the product. Pure product is white crystal, industrial product is white solid, insoluble in water at room temperature, slightly soluble in organic solvents such as ethanol and acetone.

N-2,6-Diethylphenylchloroacetamide is an intermediate of the herbicides alachlor, butachlor, and alachlor.

Molecular Weight:225.71
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:225.0920418
Monoisotopic Mass:225.0920418
Topological Polar Surface Area:29.1
Heavy Atom Count:15
Complexity:196
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes