4-(4-Chlorophenyl)-2-oxobutanoic acid

Base Information

Chemical Name:4-(4-Chlorophenyl)-2-oxobutanoic acid
CAS No.:76400-21-0
Molecular Formula:C10H9ClO3
Molecular Weight:212.633
Hs Code.:
European Community (EC) Number:839-215-7

Synonyms:4-(4-chlorophenyl)-2-oxobutanoic acid;76400-21-0;SCHEMBL7271458;HNZMKKXVFZVKII-UHFFFAOYSA-N;BDA40021;2-oxo-4-(4-chlorophenyl)butyric acid;EN300-4260167

Suppliers and Price of 4-(4-Chlorophenyl)-2-oxobutanoic acid

Supply Marketing:

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

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Chemical Property of 4-(4-Chlorophenyl)-2-oxobutanoic acid

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:212.0240218
Heavy Atom Count:14
Complexity:219

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1CCC(=O)C(=O)O)Cl

Technology Process of 4-(4-Chlorophenyl)-2-oxobutanoic acid

There total 3 articles about 4-(4-Chlorophenyl)-2-oxobutanoic acid 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: 100.0%

: 645413-92-9
tert-butyl 4-(4'-chlorophenyl)-2-oxobutanoate

: 76400-21-0
4-(p-chlorophenyl)-2-oxobutanoic acid

Guidance literature:: With trifluoroacetic acid; In dichloromethane; at 20 ℃;
DOI:10.1021/acs.jmedchem.0c00522

Reference yield:

: 83402-92-0
ethyl 4-(p-chlorophenyl)-2-ketobutanoate

: 76400-21-0
4-(p-chlorophenyl)-2-oxobutanoic acid

Guidance literature:: ethyl 4-(p-chlorophenyl)-2-ketobutanoate; With lithium hydroxide; In ethanol; for 1h; Cooling with ice; Inert atmosphere;

With hydrogenchloride; In water; at 80 ℃; pH=2; Inert atmosphere;
DOI:10.1016/j.tet.2011.06.071

Reference yield:

: 6529-53-9
1-(2-bromoethyl)-4-chlorobenzene

: 76400-21-0
4-(p-chlorophenyl)-2-oxobutanoic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: magnesium / tetrahydrofuran / 1 h / Reflux; Inert atmosphere

1.2: 1.5 h / -10 °C / Inert atmosphere

1.3: Inert atmosphere

2.1: lithium hydroxide / ethanol / 1 h / Cooling with ice; Inert atmosphere

2.2: 80 °C / pH 2 / Inert atmosphere

With magnesium; lithium hydroxide; In tetrahydrofuran; ethanol;
DOI:10.1016/j.tet.2011.06.071