CAS No.42327-52-6,4H-1-BENZOPYRAN-4-ONE, 2,3-DIHYDRO-7-METHOXY- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	42327-52-6
Name:	4H-1-BENZOPYRAN-4-ONE, 2,3-DIHYDRO-7-METHOXY-
Article Data:	1

Formula:	C₁₀H₁₀O₃
Molecular Weight:	178.188
Synonyms:	4-Chromanone,7-methoxy- (6CI,7CI);7-Methoxy-4-chromanone;
Density:	1.205 g/cm³
Boiling Point:	331 °C at 760 mmHg
Flash Point:	145.1 °C
PSA:	35.53000
LogP:	1.66040

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Specification

The 4H-1-Benzopyran-4-one, 2, 3-dihydro-7-methoxy-, with the CAS registry number of 42327-52-6, is also known as 7-Methoxy-4-chromanone. This chemical's molecular formula is C₁₀H₁₀O₃ and molecular weight is 178.18. What's more, its systematic name is called 7-Methoxy-2, 3-dihydro-4H-chromen-4-one.

Physical properties about 4H-1-Benzopyran-4-one, 2, 3-dihydro-7-methoxy- are: (1)ACD/LogP: 1.95; (2)ule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.95; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 17.76; (6)ACD/BCF (pH 7.4): 17.76; (7)ACD/KOC (pH 5.5): 272.89; (8)ACD/KOC (pH 7.4): 272.89; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 46.84 cm³; (15)Molar Volume: 147.8 cm³; (16)Surface Tension: 42.1 dyne/cm; (17)Density: 1.205 g/cm³; (18)Flash Point: 145.1 °C; (19)Enthalpy of Vaporization: 57.37 kJ/mol; (20)Boiling Point: 331 °C at 760 mmHg; (21)Vapour Pressure: 0.00016 mmHg at 25 °C.

Preparation: this chemical is prepared by 3-(3-Methoxy-phenoxy)-propionic acid. The reaction needs reagent PPA. The reaction time is 1.5 hours with reaction temperature of 60 °C. The yield is about 81 %.

Uses of 4H-1-Benzopyran-4-one, 2, 3-dihydro-7-methoxy-: it is used to produce other chemicals. For example, it is used to produce 7-Methoxy-4-methyl-chroman-4-ol. This reaction needs solvents Tetrahydrofuran and Diethyl ether. The reaction time is 4 hours. The yield is about 88 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1c2c(OCC1)cc(OC)cc2
(2) InChI: InChI=1/C10H10O3/c1-12-7-2-3-8-9(11)4-5-13-10(8)6-7/h2-3,6H,4-5H2,1H3
(3) InChIKey: DISYDHABSCTQFK-UHFFFAOYAN