51379-25-0

Basic information

• Product Name: 1-(furan-2-yl)-3-(2-hydroxy-5-methylphenyl)propane-1,3-dione
• Synonyms: 1-(2-Furyl)-3-(2-hydroxy-5-methylphenyl)propane-1,3-dione; 1,3-Propanedione, 1-(2-furanyl)-3-(2-hydroxy-5-methylphenyl)-; 1-Furan-2-yl-3-(2-hydroxy-5-methyl-phenyl)-propane-1,3-dione
• CAS NO: 51379-25-0
• Molecular Formula: C₁₄H₁₂O₄
• Molecular Weight: 244.2427
• Mol File: 51379-25-0.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 433.6°C at 760 mmHg
• Flash Point: 216°C
• Density: 1.256g/cm³
• Vapor Pressure: 4E-08mmHg at 25°C
• Refractive Index: 1.582
• CAS DataBase Reference: 1-(furan-2-yl)-3-(2-hydroxy-5-methylphenyl)propane-1,3-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(furan-2-yl)-3-(2-hydroxy-5-methylphenyl)propane-1,3-dione(51379-25-0)
• EPA Substance Registry System: 1-(furan-2-yl)-3-(2-hydroxy-5-methylphenyl)propane-1,3-dione(51379-25-0)

Safety Data

• Hazardous Substances Data: 51379-25-0(Hazardous Substances Data)

Usage

General Description

1-(furan-2-yl)-3-(2-hydroxy-5-methylphenyl)propane-1,3-dione is a chemical compound with the molecular formula C15H14O4. It is a dienone compound that contains a furan ring and a hydroxyphenyl group. It is commonly used in organic synthesis and pharmaceutical research due to its potential biological activities, such as anti-inflammatory, antioxidant, and anti-cancer properties. 1-(furan-2-yl)-3-(2-hydroxy-5-methylphenyl)propane-1,3-dione has a yellowish crystalline appearance and is slightly soluble in water but highly soluble in organic solvents. Its structure and properties make it a valuable intermediate in the production of various pharmaceuticals and bioactive compounds.

Upstream product

• 1450-72-2 5-methyl-2-hydroxyacetophenone 
• 51379-15-8 2-acetyl-4-methylphenyl furan-2-carboxylate 

Downstream Products

• 84637-23-0 2-(3-Furan-2-yl-isoxazol-5-yl)-4-methyl-phenol 
• 75201-07-9 2-(5-Furan-2-yl-1H-pyrazol-3-yl)-4-methyl-phenol 
• 1433961-92-2 3-(4-(tert-butoxy)benzyl)-1-(furan-2-yl)-7-methylchromeno[2,3-c]pyrrol-9(2H)-one 
• 1333334-74-9 2-[3-(furan-2-yl)-3-oxopropanoyl]-4-methylphenyl acetate 
• 84637-17-2 2-(5-Furan-2-yl-1-phenyl-1H-pyrazol-3-yl)-4-methyl-phenol 

Relevant articles and documents

Discovery of 3-(4-hydroxybenzyl)-1-(thiophen-2-yl)chromeno[2,3-c]pyrrol- 9(2H)-one as a phosphodiesterase-5 inhibitor and its complex crystal structure

Phosphodiesterase-5 (PDE5) inhibitors have been approved for the treatment of erectile dysfunction and pulmonary hypertension, but enthusiasm on discovery of PDE5 inhibitors continues for their potential new applications. Reported here is discovery of a series of new PDE5 inhibitors by structure-based design, molecular docking, chemical synthesis, and enzymatic characterization. The best compound, 3-(4-hydroxybenzyl)-1-(thiophen-2-yl)chromeno[2,3-c]pyrrol-9(2H)-one (57), has an IC50 of 17 nM against the PDE5 catalytic domain and good selectivity over other PDE families. The crystal structure of the PDE5 catalytic domain in complex with 57 was determined at 2 A resolution and showed that 57 occupies the same pocket as other PDE5 inhibitors, but has a different binding pattern in detail. On the basis of the binding pattern of 57, a novel scaffold can be proposed as a candidate of PDE inhibitors.

Synthesis and Reactions of 1-(2'-Furyl)-3-(substituted-2''-hydroxyphenyl)propanediones

The title compounds (III) have been synthesised by the base-catalysed Baker-Venkataraman transformation of furoyl esters (II) of substituted 2-hydroxyacetophenones.These propanediones (III) on acid cyclization, bromination, treatment with SO2Cl2, and cond