1577-03-3

Basic information

• Product Name: 1-(4-Chlorophenyl)-4,4-dimethylpent-1-en-3-one
• Synonyms: 1-(4-Chlorophenyl)-4,4-dimethylpent-1-en-3-one;1-(4-Chlorophenyl)-4,4-dimethyl-1-penten-3-one
• CAS NO: 1577-03-3
• Molecular Formula: C₁₃H₁₅ClO
• Molecular Weight: 222.71
• Mol File: 1577-03-3.mol
• Article Data: 7

Chemical Properties

• Melting Point: 85-85.5 °C
• Boiling Point: 332 °C at 760 mmHg
• Flash Point: 189.1 °C
• Appearance: /
• Density: 1.083g/cm³
• Vapor Pressure: 0.00015mmHg at 25°C
• Refractive Index: 1.55
• CAS DataBase Reference: 1-(4-Chlorophenyl)-4,4-dimethylpent-1-en-3-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-Chlorophenyl)-4,4-dimethylpent-1-en-3-one(1577-03-3)
• EPA Substance Registry System: 1-(4-Chlorophenyl)-4,4-dimethylpent-1-en-3-one(1577-03-3)

Safety Data

• Hazardous Substances Data: 1577-03-3(Hazardous Substances Data)

Usage

General Description

1-(4-Chlorophenyl)-4,4-dimethylpent-1-en-3-one is a chemical compound with the molecular formula C15H17ClO. It belongs to the class of organic compounds known as phenylpropanes, which contain a phenylpropane moiety. As is appropriate with chemicals that contain chlorine, this chemical has properties as a halogenated alkene. 1-(4-Chlorophenyl)-4,4-dimethylpent-1-en-3-one has a high mass, giving it physical and chemical characteristics common to other heavier elements. Its applications vary across industries, with most common uses in chemical, pharmaceutical, and agricultural fields. As with all chemicals, handling should be done with caution, and appropriate safety measures should be in place.

InChI:InChI=1/C13H15ClO/c1-13(2,3)12(15)9-6-10-4-7-11(14)8-5-10/h4-9H,1-3H3

Upstream product

• 75-97-8 3,3-dimethyl-butan-2-one 
• 104-88-1 4-chlorobenzaldehyde 

Downstream Products

• 55614-53-4 6-(3-Chloro-4-methoxy-phenyl)-5-(4-chloro-phenyl)-2,2-dimethyl-hexan-3-one 
• 1443442-42-9 8-tert-butyl-6-(4-chlorophenyl)-5-methylindolizine 

Relevant articles and documents

Design, synthesis and neuraminidase inhibitory activity of N-(5-benzyl-4-(tert-butyl)thiazol-2-yl)benzamides

A series of N-(5-benzyl-4-(tert-butyl)thiazol-2-yl)benzamides were synthesized and the structures were characterized by 1H NMR, MS and elemental analyses. The crystal structures of compounds F5 and F16 were determined by single-crystal X-ray diffraction. The neuraminidase inhibitory activities of compounds F1-F32 were evaluated in vitro at the concentration of 40 μg/mL. The results indicated that compounds F8, F26 and F32 exhibited most potent inhibitory activity against NA. Molecular docking was performed by LeDock to further explain the structure-activity relationship of compound F26. The docking modeling showed that compound F26 was in good combination with oseltamivir binding sites of NA and could be a potential NA inhibitor agent.

2-Oxindole Acts as a Synthon of 2-Aminobenzoyl Anion in the K2CO3-Catalyzed Reaction with Enones: Preparation of 1,4-Diketones Bearing an Amino Group and Their Further Transformations

A convenient approach for the synthesis of 1,4-diketones bearing an amino group has been developed through the K2CO3-catalyzed reaction of 2-oxindoles with enones with the assistance of atmospheric O2 via sequential Michael addition-oxidation-ring-cleavage process. The further intramolecular reaction leads to the formation of benzoazepinone, quinoline, and 3-oxindole derivatives.

Discovery and optimization of 1,3,5-trisubstituted pyrazolines as potent and highly selective allosteric inhibitors of protein kinase C-χ

There is increasing evidence that the atypical protein kinase C, PKCχ, might be a therapeutic target in pulmonary and hepatic inflammatory diseases. However, targeting the highly conserved ATP-binding pocket in the catalytic domain held little promise to