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4H-1-Benzopyran-4-one,6,7-dimethoxy-3-(4-methoxyphenyl)- (798-61-8)

Identification
Name:4H-1-Benzopyran-4-one,6,7-dimethoxy-3-(4-methoxyphenyl)-
Synonyms:Isoflavone,4',6,7-trimethoxy- (6CI,7CI,8CI);7-O-Methylafromosin;Afromosin 7-O-methylether;Texasin dimethyl ether;
CAS:798-61-8
Molecular Formula: C18H16O5
Molecular Weight: 312.32
InChI: InChI=1/C18H16O5/c1-20-12-6-4-11(5-7-12)14-10-23-15-9-17(22-3)16(21-2)8-13(15)18(14)19/h4-10H,1-3H3
Molecular Structure: (C18H16O5) Isoflavone,4',6,7-trimethoxy- (6CI,7CI,8CI);7-O-Methylafromosin;Afromosin 7-O-methylether;Texasin di...
Properties
Melting Point: 176-178°C
Density:1.242 g/cm3
Refractive index:1.585
Specification:

The IUPAC name of 4',6,7-Trimethoxyisoflavone is 6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one . With the CAS registry number 798-61-8, it is also named as 4H-1-benzopyran-4-one, 6,7-dimethoxy-3-(4-methoxyphenyl)- ; 6,7-Dimethoxy-3-(4-methoxyphenyl)-4H-chromen-4-on ; 6,7-Dimethoxy-3-(4-methoxyphenyl)-4H-chromen-4-one ; 6,7-Dimethoxy-3-(4-methoxy-phenyl)-chromen-4-one . The product belongs to miscellaneous natural products and iso-flavones. This product is a little dangerous to people. People should not breathe dust. And avoid contact with skin and eyes.

The 4',6,7-Trimethoxyisoflavone can be obtained by [1,3,5]triazine and 4-methoxybenzyl 2-hydroxy-4,5-dimethoxyphenyl ketone with bortrifluorid-ether, acetanhydride . The solvents are acetic acid and diethyl ether . The yield is 95%.

The other characteristics of this product can be summarized as: (1)#H bond acceptors: 5 ; (2)#H bond donors: 0 ; (3)#Freely Rotating Bonds: 4 ; (4)Index of Refraction: 1.585 ; (5)Molar Refractivity: 84.24 cm3 ; (6)Molar Volume: 251.2 cm3 ; (7)Polarizability: 33.39×10-24 cm3 ; (8)Surface Tension: 45.2 dyne/cm ; (9)Enthalpy of Vaporization: 75.35 kJ/mol ; (10)Vapour Pressure: 1.18E-09 mmHg at 25°C ; (11)Rotatable Bond Count: 4 ; (12)Exact Mass: 312.099774 ; (13)MonoIsotopic Mass: 312.099774 ; (14)Topological Polar Surface: Area 54 ; (15)Heavy Atom Count: 23. 

People can use the following data to convert to the molecule structure. SMILES: O=C\1c3c(O/C=C/1c2ccc(OC)cc2)cc(OC)c(OC)c3; InChI: InChI=1/C18H16O5/c1-20-12-6-4-11(5-7-12)14-10-23-15-9-17(22-3)16(21-2)8-13(15)18(14)19/h4-10H,1-3H3. 4',6,7-Trimethoxyisoflavone has many suppliers, such as Shanghai Yare Biotech, Inc..

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