4-Chloro-N-(4-methyl-2-oxopentyl)benzamide

Base Information

Chemical Name:4-Chloro-N-(4-methyl-2-oxopentyl)benzamide
CAS No.:89006-99-5
Molecular Formula:C13H16ClNO2
Molecular Weight:253.729
Hs Code.:
DSSTox Substance ID:DTXSID20542073
Wikidata:Q82418600

Synonyms:4-Chloro-N-(4-methyl-2-oxopentyl)benzamide;89006-99-5;SCHEMBL11007393;DTXSID20542073;BHAFCMXHVFYIOI-UHFFFAOYSA-N;N-(4-chlorobenzoyl)isovalerylmethylamine

Suppliers and Price of 4-Chloro-N-(4-methyl-2-oxopentyl)benzamide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of 4-Chloro-N-(4-methyl-2-oxopentyl)benzamide

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:253.0869564
Heavy Atom Count:17
Complexity:271

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CC(=O)CNC(=O)C1=CC=C(C=C1)Cl

Technology Process of 4-Chloro-N-(4-methyl-2-oxopentyl)benzamide

There total 1 articles about 4-Chloro-N-(4-methyl-2-oxopentyl)benzamide 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: 97.5%

: 21419-26-1
aminomethyl isobutyl ketone hydrochloride

: 122-01-0
4-chloro-benzoyl chloride

: 89006-99-5
-methyl isobutyl ketone

Guidance literature:: With sodium hydrogencarbonate; In water; ethyl acetate; for 3h; Ambient temperature;
DOI:10.1248/cpb.36.4435

Reference yield: 74.4%

: 105-36-2
ethyl bromoacetate

: 89006-99-5
-methyl isobutyl ketone

: 119902-32-8
ethyl 3-(4-chlorobenzoylamino)-6-methyl-4-oxoheptanoate

Guidance literature:: With sodium hydride; In N,N-dimethyl-formamide; -50 deg C, up to 10 deg C during 10 min;
DOI:10.1248/cpb.36.4435

Reference yield:

: 89006-99-5
-methyl isobutyl ketone

: 89006-83-7
[2-(4-Chloro-phenyl)-5-isobutyl-oxazol-4-yl]-acetic acid ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 74.4 percent / 61 percent sodium hydride in paraffine / dimethylformamide / -50 deg C, up to 10 deg C during 10 min

2: 63 percent / phosphoryl chloride / dimethylformamide / 0 deg C then rt.

With sodium hydride; trichlorophosphate; In N,N-dimethyl-formamide;
DOI:10.1248/cpb.36.4435