4-HYDROXY-3-PHENYL-2(5H)-FURANONE

The 2(5H)-Furanone,4-hydroxy-3-phenyl- is an organic compound with the formula C₁₀H₈O₃. The systematic name of this chemical is 4-hydroxy-3-phenylfuran-2(5H)-one. With the CAS registry number 23782-85-6, it is also named as 4-Hydroxy-3-phenyl-5h-furan-2-one. Besides, it should be stored in a closed cool and ventilated place.

Physical properties about 2(5H)-Furanone,4-hydroxy-3-phenyl- are: (1)ACD/LogP: 0.95; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 46.53 Å²; (10)Index of Refraction: 1.642; (11)Molar Refractivity: 45.81 cm³; (12)Molar Volume: 126.7 cm³; (13)Polarizability: 18.16×10^-24cm³; (14)Surface Tension: 63 dyne/cm; (15)Density: 1.39 g/cm³; (16)Flash Point: 183.9 °C; (17)Enthalpy of Vaporization: 68.07 kJ/mol; (18)Boiling Point: 395.3 °C at 760 mmHg; (19)Vapour Pressure: 5.85E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,5-dihydro-2-oxo-3-phenyl-5-triphenylphosphoniofuran-4-olate. This reaction will need reagent sodium and solvent ethanol. The reaction time is 20 hours in sealed system. The yield is about 57%.

Uses of 2(5H)-Furanone,4-hydroxy-3-phenyl-: it can be used to produce 4-bromo-3-phenyl-5H-furan-2-one at temperature of 0 - 20 °C. This reaction is a kind of Substitution. It will need reagent oxalyl bromide and solvent CH₂Cl₂, dimethylformamide with reaction time of 1.5 hours. The yield is about 90%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2OCC(\O)=C2\c1ccccc1
(2)InChI: InChI=1/C10H8O3/c11-8-6-13-10(12)9(8)7-4-2-1-3-5-7/h1-5,11H,6H2
(3)InChIKey: BDTGRWGPYLECRW-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C10H8O3/c11-8-6-13-10(12)9(8)7-4-2-1-3-5-7/h1-5,11H,6H2
(5)Std. InChIKey: BDTGRWGPYLECRW-UHFFFAOYSA-N