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7-Methoxyflavanone

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Name

7-Methoxyflavanone

EINECS N/A
CAS No. 21785-09-1 Density 1.199 g/cm3
PSA 35.53000 LogP 3.40170
Solubility N/A Melting Point 89-91 °C(lit.)
Formula C16H14O3 Boiling Point 435.439 °C at 760 mmHg
Molecular Weight 254.285 Flash Point 209.004 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 21785-09-1 (7-METHOXYFLAVANONE) Hazard Symbols IrritantXi
Synonyms

Flavanone,7-methoxy- (7CI,8CI);7-Methoxy-4-flavanone;7-Methoxy-2-phenylchroman-4-one;

Article Data 38

7-Methoxyflavanone Specification

The 7-Methoxyflavanone, with the CAS registry number 21785-09-1, is also known as 7-Methoxy-4-flavanone. It belongs to the product categories of Flavanones; Benzopyrans; Building Blocks; Heterocyclic Building Blocks. This chemical's molecular formula is C16H14O3 and molecular weight is 254.28. What's more, its systematic name is 7-Methoxy-2-phenyl-2,3-dihydro-4H-chromen-4-one.

Physical properties of 7-Methoxyflavanone are: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 3.08; (5)ACD/BCF (pH 5.5): 129.05; (6)ACD/BCF (pH 7.4): 129.05; (7)ACD/KOC (pH 5.5): 1128.46; (8)ACD/KOC (pH 7.4): 1128.46; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 71.286 cm3; (15)Molar Volume: 211.99 cm3; (16)Polarizability: 28.26×10-24cm3; (17)Surface Tension: 44.80 dyne/cm; (18)Density: 1.199 g/cm3; (19)Flash Point: 209.004 °C; (20)Enthalpy of Vaporization: 69.172 kJ/mol; (21)Boiling Point: 435.439 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation of 7-Methoxyflavanone: this chemical can be prepared by 7-methoxy-2-phenyl-chromen-4-one at the ambient temperature. This reaction will need reagent thallium(III) nitrate and solvent methanol with the reaction time of 20 hours. The yield is about 76%.

7-Methoxyflavanone can be prepared by 7-methoxy-2-phenyl-chromen-4-one at the ambient temperature

Uses of 7-Methoxyflavanone: it can be used to produce 2'-hydroxy-4'-methoxy-chalcone. It is a reaction of acid-catalyzed cyclization. The yield is about 80%.

7-Methoxyflavanone can be used to produce 2'-hydroxy-4'-methoxy-chalcone

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c3c(OC(c1ccccc1)C2)cc(OC)cc3
(2)Std. InChI: InChI=1S/C16H14O3/c1-18-12-7-8-13-14(17)10-15(19-16(13)9-12)11-5-3-2-4-6-11/h2-9,15H,10H2,1H3
(3)Std. InChIKey: VYESEQLQFXUROZ-UHFFFAOYSA-N 

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