60402-29-1

Basic information

• Product Name: 1-(4-CHLOROPHENYL)-3-(2-HYDROXY-5-METHYLPHENYL)PROPANE-1,3-DIONE
• Synonyms: AURORA KA-4125;1-(4-CHLOROPHENYL)-3-(2-HYDROXY-5-METHYLPHENYL)PROPANE-1,3-DIONE;1-(2-Hydroxy-5-methylphenyl)-3-(4-chlorophenyl)-
• CAS NO: 60402-29-1
• Molecular Formula: C₁₆H₁₃ClO₃
• Molecular Weight: 288.73
• Mol File: 60402-29-1.mol
• Article Data: 2

Chemical Properties

• Melting Point: 143-146°C
• Boiling Point: 487.3°C at 760 mmHg
• Flash Point: 248.5°C
• Appearance: /
• Density: 1.328g/cm³
• Vapor Pressure: 2.61E-10mmHg at 25°C
• Refractive Index: 1.645
• CAS DataBase Reference: 1-(4-CHLOROPHENYL)-3-(2-HYDROXY-5-METHYLPHENYL)PROPANE-1,3-DIONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-CHLOROPHENYL)-3-(2-HYDROXY-5-METHYLPHENYL)PROPANE-1,3-DIONE(60402-29-1)
• EPA Substance Registry System: 1-(4-CHLOROPHENYL)-3-(2-HYDROXY-5-METHYLPHENYL)PROPANE-1,3-DIONE(60402-29-1)

Safety Data

• Hazardous Substances Data: 60402-29-1(Hazardous Substances Data)

Usage

Chemical structure

1-(4-Chlorophenyl)-3-(2-hydroxy-5-methylphenyl)propane-1,3-dione is an aromatic compound with a chlorine atom attached to a phenyl ring and a hydroxy and methyl group attached to another phenyl ring.

Functional groups

The compound contains a propionic acid moiety and a diketone group, making it a β-diketone.

Physical state

It is a yellow crystalline solid.

Potential applications

The compound has potential applications in various fields including pharmaceuticals, agriculture, and material science.

Synthesis and purity

The precise properties and uses of the compound would depend on its specific synthesis and purity.

InChI:InChI=1/C16H13ClO3/c1-10-2-7-14(18)13(8-10)16(20)9-15(19)11-3-5-12(17)6-4-11/h2-9,18-19H,1H3

Upstream product

• 4010-22-4 1-[2-(4-chlorobenzoyloxy)-5-methylphenyl]-ethanone 
• 140-39-6 1-acetoxy-4-methylbenzene 
• 106-44-5 p-cresol 
• 1450-72-2 5-methyl-2-hydroxyacetophenone 
• 122-01-0 4-chloro-benzoyl chloride 

Downstream Products

• 1343513-06-3 2-(4-chlorophenyl)-6-((diethylamino)methyl)-4H-chromen-4-one 
• 1343513-07-4 2-(4-chlorophenyl)-6-(piperidin-1-ylmethyl)-4H-chromen-4-one 
• 1343513-08-5 2-(4-chlorophenyl)-6-((4-methylpiperazin-1-yl)methyl)-4H-chromen-4-one 
• 1343513-09-6 2-(4-chlorophenyl)-6-(morpholin-4-ylmethyl)-4H-chromen-4-one 
• 1343513-10-9 2-(4-chlorophenyl)-6-(piperazin-1-ylmethyl)-4H-chromen-4-one 
• 1343513-11-0 2-(4-chlorophenyl)-6-((dimethylamino)methyl)-4H-chromen-4-one 
• 1343513-12-1 6-((1H-imidazol-1-yl)methyl)-2-(4-chlorophenyl)-4H-chromen-4-one 
• 1343513-13-2 N-((2-(4-chlorophenyl)-4-oxo-4H-chromen-6-yl)methyl)-N,N-diethylethanaminium 
• 60402-31-5 6-Bromomethyl-2-p-chlorophenylchromone 
• 136764-54-0 1a,7a-Dihydro-5-methyl-1a-(4-chlorophenyl)-7H-oxireno<1>benzopyran-7-one 
• 60402-30-4 2-(4-chlorophenyl)-6-methyl-4H-chromen-4-one 

Relevant articles and documents

Investigation on the substitution effects of the flavonoids as potent anticancer agents: A structure-activity relationships study

Three series of flavonoid analogues substituted with different aminomethyl substitutions at C-6, C-7, and C-8 were designed and synthesized for the structure-activity relationship studies as potent anticancer agents. The prepared analogues were evaluated for their in vitro inhibitory activity against the growth of the hepatic cancer cell lines HepG2 and SMMC-7721. Structure-activity relationships indicated that not only the compounds with amino methyl groups were more active than those without the groups in the same series but also the compounds substituted by aminomethyl groups at position C-8 were more active than those at positions C-6 and C-7.