Ethyl 2-acetyl-4-(4-chlorophenyl)-4-oxobutanoate

Base Information

Chemical Name:Ethyl 2-acetyl-4-(4-chlorophenyl)-4-oxobutanoate
CAS No.:111787-82-7
Molecular Formula:C14H15 Cl O4
Molecular Weight:282.724
Hs Code.:2918300090
DSSTox Substance ID:DTXSID60372452
Mol file:111787-82-7.mol

Synonyms:ethyl 2-acetyl-4-(4-chlorophenyl)-4-oxobutanoate;111787-82-7;MFCD00275558;Maybridge1_008453;5-nitrobenzoxazolo-2-thione;SCHEMBL2884408;HMS565I05;DTXSID60372452;FQMARORYZJGMIZ-UHFFFAOYSA-N;CCG-50241;AKOS005199418;AS-0187;FT-0625912;EN300-7456560;SR-01000639634-1;2-[2-(4-chlorophenyl)-2-oxo-ethyl]-3-oxo-butyric acid ethyl ester;2-[2-(4-chloro-phenyl)-2-oxo-ethyl]-3-oxo-butyric acid ethyl ester

Suppliers and Price of Ethyl 2-acetyl-4-(4-chlorophenyl)-4-oxobutanoate

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

CHESS?
MC003015:2-[2-(4-Chloro-phenyl)-2-oxo-ethyl]-3-oxo-butyricacidethylester 95
1 g
$ 336.00

American Custom Chemicals Corporation
ETHYL 2-ACETYL-4-(4-CHLOROPHENYL)-4-OXOBUTANOATE 95.00%
1G
$ 1022.35

Total 4 raw suppliers

Chemical Property of Ethyl 2-acetyl-4-(4-chlorophenyl)-4-oxobutanoate

Chemical Property:

Vapor Pressure:2.71E-07mmHg at 25°C
Boiling Point:420.9°Cat760mmHg
Flash Point:167.7°C
PSA：60.44000
Density:1.213g/cm³
LogP:2.68110
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:282.0658866
Heavy Atom Count:19
Complexity:345

Purity/Quality:

98%Min ^*data from raw suppliers

MC003015:2-[2-(4-Chloro-phenyl)-2-oxo-ethyl]-3-oxo-butyricacidethylester 95 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Ethyl 2-acetyl-4-(4-chlorophenyl)-4-oxobutanoate

There total 3 articles about Ethyl 2-acetyl-4-(4-chlorophenyl)-4-oxobutanoate 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: 82.0%

: 141-97-9
ethyl acetoacetate

: 536-38-9
4-chlorobenzoylmethyl bromide

: 111787-82-7
2-[2-(4-chlorophenyl)-2-oxo-ethyl]-3-oxo-butyric acid ethyl ester

Guidance literature:: With sodium hydride; In tetrahydrofuran; at 0 - 20 ℃;
DOI:10.1021/jacs.1c07741

Reference yield:

: 99-91-2
para-chloroacetophenone

: 111787-82-7
2-[2-(4-chlorophenyl)-2-oxo-ethyl]-3-oxo-butyric acid ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: bromine

2.1: sodium ethanolate / 30 °C

2.2: 30 °C

With bromine; sodium ethanolate;
DOI:10.1515/hc-2014-0022