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CAS No.: | 4143-62-8 |
---|---|
Name: | 3',4'-DIMETHOXYFLAVONE |
Article Data: | 49 |
Molecular Structure: | |
Formula: | C17H14O4 |
Molecular Weight: | 282.296 |
Synonyms: | Flavone,3',4'-dimethoxy- (7CI,8CI);2-(3,4-Dimethoxyphenyl)-4H-chromen-4-one;3',4'-Dimethoxyflavone; |
EINECS: | 1.242 g/cm3 |
Density: | 1.242±0.06 g/cm3(Predicted) |
Melting Point: | 154-155 °C |
Boiling Point: | 428.5 °C at 760 mmHg |
Flash Point: | 190.6 °C |
Hazard Symbols: | T |
Risk Codes: | 25 |
Safety: | 22-24/25 |
PSA: | 48.67000 |
LogP: | 3.47720 |
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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