1-(Acetyloxy)-3-(4-chlorophenyl)-2-propanone

Base Information

Chemical Name:1-(Acetyloxy)-3-(4-chlorophenyl)-2-propanone
CAS No.:56955-38-5
Molecular Formula:C11H11 Cl O3
Molecular Weight:226.66
Hs Code.:
DSSTox Substance ID:DTXSID40481157
Wikidata:Q82316407
Mol file:56955-38-5.mol

Synonyms:56955-38-5;1-(ACETYLOXY)-3-(4-CHLOROPHENYL)-2-PROPANONE;3-(4-chlorophenyl)-2-oxopropyl acetate;[3-(4-chlorophenyl)-2-oxopropyl] acetate;Acetic acid 3-(4-chlorophenyl)-2-oxopropyl ester;3-(4-Chlorophenyl)-2-oxopropylacetate;acetic acid 3-(4-chloro-phenyl)-2-oxo-propyl ester;SCHEMBL2253496;DTXSID40481157;MRFNAPDKSCOTOB-UHFFFAOYSA-N;CS-M3572;AKOS037650633;CS-15097;C13053

Suppliers and Price of 1-(Acetyloxy)-3-(4-chlorophenyl)-2-propanone

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

ChemScene
3-(4-Chlorophenyl)-2-oxopropylacetate
1g
$ 400.00

Total 5 raw suppliers

Chemical Property of 1-(Acetyloxy)-3-(4-chlorophenyl)-2-propanone

Chemical Property:

PSA：43.37000
LogP:2.01470
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:226.0396719
Heavy Atom Count:15
Complexity:232

Purity/Quality:

99% ^*data from raw suppliers

3-(4-Chlorophenyl)-2-oxopropylacetate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OCC(=O)CC1=CC=C(C=C1)Cl

Technology Process of 1-(Acetyloxy)-3-(4-chlorophenyl)-2-propanone

There total 5 articles about 1-(Acetyloxy)-3-(4-chlorophenyl)-2-propanone 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: 51.3%

: 33107-83-4
1-chloro-3-(4-chlorophenyl)propan-2-one

: 64-19-7,77671-22-8
acetic acid

: 56955-38-5
3-(4-chlorophenyl)-2-oxopropyl acetate

Guidance literature:: With cesium acetate; In ethanol; water; for 3h; Heating / reflux;

Reference yield:

: 1878-66-6
4-chlorophenylacetic Acid

: 56955-38-5
3-(4-chlorophenyl)-2-oxopropyl acetate

Guidance literature:: Multi-step reaction with 3 steps

1.1: oxalyl chloride; DMF / tetrahydrofuran / 1 h

2.1: diethyl ether; tetrahydrofuran

2.2: 74 percent / HCl / diethyl ether; tetrahydrofuran

3.1: 55 percent / AcOH / ethanol / 3 h / Heating

With oxalyl dichloride; acetic acid; N,N-dimethyl-formamide; In tetrahydrofuran; diethyl ether; ethanol;
DOI:10.1021/jm060631p

Reference yield:

: 25026-34-0
4-chlorophenacetyl chloride

: 56955-38-5
3-(4-chlorophenyl)-2-oxopropyl acetate

Guidance literature:: Multi-step reaction with 2 steps

1.1: diethyl ether; tetrahydrofuran

1.2: 74 percent / HCl / diethyl ether; tetrahydrofuran

2.1: 55 percent / AcOH / ethanol / 3 h / Heating

With acetic acid; In tetrahydrofuran; diethyl ether; ethanol;
DOI:10.1021/jm060631p