4',7-Dimethoxyisoflavone

The 4',7-Dimethoxyisoflavone is an organic compound with the formula C₁₇H₁₄O₄. The IUPAC name of this chemical is 7-methoxy-3-(4-methoxyphenyl)chromen-4-one. With the CAS registry number 1157-39-7, it is also named as . The product's category is Iso-Flavones. Besides, it should be stored in closed, cool, dry place. When you are using it, do not breathe dust and avoid contact with skin and eyes.

Physical properties about 4',7-Dimethoxyisoflavone are: (1)ACD/LogP: 3.44; (2)ACD/LogD (pH 5.5): 3.43; (3)ACD/LogD (pH 7.4): 3.43; (4)ACD/BCF (pH 5.5): 240.2; (5)ACD/BCF (pH 7.4): 240.2; (6)ACD/KOC (pH 5.5): 1760.43; (7)ACD/KOC (pH 7.4): 1760.43; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 44.76 Å²; (11)Index of Refraction: 1.598; (12)Molar Refractivity: 77.56 cm³; (13)Molar Volume: 227.2 cm³; (14)Polarizability: 30.74×10^-24cm³; (15)Surface Tension: 46.3 dyne/cm; (16)Density: 1.242 g/cm³; (17)Flash Point: 202.2 °C; (18)Enthalpy of Vaporization: 71.2 kJ/mol; (19)Boiling Point: 452.8 °C at 760 mmHg; (20)Vapour Pressure: 2.18E-08 mmHg at 25°C.

Preparation: this chemical can be prepared by 7-methoxy-3-(4-methoxy-phenyl)-4-oxo-chroman-3-carboxylic acid allyl ester. This reaction will need reagent palladium(II) acetate, 1,2-bis(diphenylphosphino)ethane and solvent acetonitrile. The reaction time is 4 hours by heating. The yield is about 73%.

Uses of 4',7-Dimethoxyisoflavone: it can be used to produce (+-)-7-methoxy-3-(4-methoxy-phenyl)-chroman-4-one at temperature of -65 °C. It will need reagent Diisobutylaluminium hydride and solvent toluene, tetrahydrofuran. The yield is about 87%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1c3c(O/C=C/1c2ccc(OC)cc2)cc(OC)cc3
(2)InChI: InChI=1/C17H14O4/c1-19-12-5-3-11(4-6-12)15-10-21-16-9-13(20-2)7-8-14(16)17(15)18/h3-10H,1-2H3
(3)InChIKey: LPNBCGIVZXHHHO-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C17H14O4/c1-19-12-5-3-11(4-6-12)15-10-21-16-9-13(20-2)7-8-14(16)17(15)18/h3-10H,1-2H3
(5)Std. InChIKey: LPNBCGIVZXHHHO-UHFFFAOYSA-N