1-[3-(4-Chlorophenyl)-1,2-oxazol-4-yl]ethan-1-one

Base Information

Chemical Name:1-[3-(4-Chlorophenyl)-1,2-oxazol-4-yl]ethan-1-one
CAS No.:129144-38-3
Molecular Formula:C11H8 Cl N O2
Molecular Weight:221.643
Hs Code.:
DSSTox Substance ID:DTXSID80696743
Wikidata:Q82626433

Synonyms:129144-38-3;Ethanone, 1-[3-(4-chlorophenyl)-4-isoxazolyl]-;1-[3-(4-Chlorophenyl)-1,2-oxazol-4-yl]ethan-1-one;1-[3-(4-Chlorophenyl)-4-isoxazolyl]-ethanone;1-[3-(4-chlorophenyl)-1,2-oxazol-4-yl]ethanone;SCHEMBL6004036;DTXSID80696743;AKOS015909483;1-[3-(4-chlorophenyl)-4-isoxazolyl]ethanone;A805912;1-(3-(4-CHLOROPHENYL)ISOXAZOL-4-YL)ETHANONE

Suppliers and Price of 1-[3-(4-Chlorophenyl)-1,2-oxazol-4-yl]ethan-1-one

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 6 raw suppliers

Chemical Property of 1-[3-(4-Chlorophenyl)-1,2-oxazol-4-yl]ethan-1-one

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:221.0243562
Heavy Atom Count:15
Complexity:239

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C1=CON=C1C2=CC=C(C=C2)Cl

Technology Process of 1-[3-(4-Chlorophenyl)-1,2-oxazol-4-yl]ethan-1-one

There total 4 articles about 1-[3-(4-Chlorophenyl)-1,2-oxazol-4-yl]ethan-1-one 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: 85.0%

: 2802-08-6
(E)-4-(dimethylamino)but-3-en-2-one

: 3717-24-6
4-chlorobenzaldehyde oxime

: 129144-38-3
1-(3-(4-chlorophenyl)isoxazol-4-yl)ethan-1-one

Guidance literature:: With [hydroxy(tosyloxy)iodo]benzene; In dichloromethane; at 20 ℃; for 3h; regioselective reaction; Inert atmosphere;
DOI:10.1002/ejoc.201901258

Reference yield:

: 4-Acetyl-3-(4-chloro-phenyl)-isoxazole-5-carboxylic acid

: 129144-38-3
1-(3-(4-chlorophenyl)isoxazol-4-yl)ethan-1-one

Guidance literature:: at 150 ℃; under 20 Torr; Yield given; decarboxylation;

Reference yield:

: 129144-29-2
4-Acetyl-3-(4-chloro-phenyl)-isoxazole-5-carboxylic acid methyl ester

: 129144-38-3
1-(3-(4-chlorophenyl)isoxazol-4-yl)ethan-1-one

Guidance literature:: Multi-step reaction with 2 steps

1: NaOH / H₂O

2: 150 °C / 20 Torr / decarboxylation

With sodium hydroxide; In water;