3',4'-DIMETHOXYFLAVONE

The 4H-1-Benzopyran-4-one,2-(3,4-dimethoxyphenyl)- is an organic compound with the formula C₁₇H₁₄O₄. The IUPAC name of this chemical is 2-(3,4-dimethoxyphenyl)chromen-4-one. With the CAS registry number 4143-62-8, it is also named as 2-(3,4-Dimethoxyphenyl)-4H-chromen-4-on. The product's categories are Di-substituted Flavones; Flavanols. Besides, it should be stored in a dark closed and well-ventilated place.

Physical properties about 4H-1-Benzopyran-4-one,2-(3,4-dimethoxyphenyl)- are: (1)ACD/LogP: 3.65; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 44.76 Å²; (5)Index of Refraction: 1.598; (6)Molar Refractivity: 77.56 cm³; (7)Molar Volume: 227.2 cm³; (8)Polarizability: 30.74×10^-24cm³; (9)Surface Tension: 46.3 dyne/cm; (10)Density: 1.242 g/cm³; (11)Flash Point: 190.6 °C; (12)Enthalpy of Vaporization: 68.36 kJ/mol; (13)Boiling Point: 428.5 °C at 760 mmHg; (14)Vapour Pressure: 1.51E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by hydroxy-2' dimethoxy-3,4 chalcone. This reaction will need reagent SeO₂ and solvent 3-methyl-butan-1-ol. The reaction time is 14 hours with reaction temperature of 140 - 150 °C. The yield is about 73%.

Uses of 4H-1-Benzopyran-4-one,2-(3,4-dimethoxyphenyl)-: it can be used to produce 2-(3,4-dihydroxy-phenyl)-chromen-4-one by heating. It will need reagent AlCl₃ and solvent acetonitrile with reaction time of 3 hours. The yield is about 41%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1c3c(O/C(=C/1)c2ccc(OC)c(OC)c2)cccc3
(2)InChI: InChI=1/C17H14O4/c1-19-15-8-7-11(9-17(15)20-2)16-10-13(18)12-5-3-4-6-14(12)21-16/h3-10H,1-2H3
(3)InChIKey: ZGHORMOOTZTQFL-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C17H14O4/c1-19-15-8-7-11(9-17(15)20-2)16-10-13(18)12-5-3-4-6-14(12)21-16/h3-10H,1-2H3
(5)Std. InChIKey: ZGHORMOOTZTQFL-UHFFFAOYSA-N