3',4',5',5,7-PENTAMETHOXYFLAVONE

The 3',4',5',5,7-Pentamethoxyflavone, with CAS registry number 53350-26-8, belongs to the following product categories: (1)Penta-substituted Flavones; (2)Inhibitors; (3)Tyrosine Kinase Inhibitors. Its systematic name and its IUPAC name are the same, which is 5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one. This chemical is a kind of off-white crystalline solid.

Physical properties of 3',4',5',5,7-Pentamethoxyflavone: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 72.45 Å²; (7)Index of Refraction: 1.565; (8)Molar Refractivity: 97.59 cm³; (9)Molar Volume: 299.2 cm³; (10)Polarizability: 38.69×10^-24cm³; (11)Surface Tension: 43.5 dyne/cm; (12)Enthalpy of Vaporization: 83.55 kJ/mol; (13)Vapour Pressure: 2.48E-12 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-(2-hydroxy-4,6-dimethoxy-phenyl)-3-(3,4,5-trimethoxy-phenyl)-propane-1,3-dione. This reaction will need reagent acetic acid, sodium acetate.

Uses of 3',4',5',5,7-Pentamethoxyflavone: it can be used to produce 5-hydroxy-7-methoxy-2-(3,4,5-trimethoxy-phenyl)-chromen-4-one. This reaction will need reagent AlBr₃ and solvent acetonitrile. The reaction time is 5 hour(s) with reaction temperature of 20 ℃. The yield is about 20%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1c3c(O/C(=C/1)c2cc(OC)c(OC)c(OC)c2)cc(OC)cc3OC
(2)InChI: InChI=1/C20H20O7/c1-22-12-8-15(23-2)19-13(21)10-14(27-16(19)9-12)11-6-17(24-3)20(26-5)18(7-11)25-4/h6-10H,1-5H3
(3)InChIKey: GIKVSFNAEBQLGB-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C20H20O7/c1-22-12-8-15(23-2)19-13(21)10-14(27-16(19)9-12)11-6-17(24-3)20(26-5)18(7-11)25-4/h6-10H,1-5H3
(5)Std. InChIKey: GIKVSFNAEBQLGB-UHFFFAOYSA-N