5-hydroxy-4-methyl-chromen-2-one

The 2H-1-Benzopyran-2-one,5-hydroxy-4-methyl-, with the CAS registry number of 2373-34-4 is also known as 5-Hydroxy-4-methyl-2H-chromen-2-one. This chemical's molecular formula is C₁₀H₈O₃ and molecular weight is 176.17. What's more, its IUPAC name is 5-Hydroxy-4-methylchromen-2-one.

Physical properties about the 2H-1-Benzopyran-2-one,5-hydroxy-4-methyl- are: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 2.38; (5)ACD/BCF (pH 5.5): 57.08; (6)ACD/BCF (pH 7.4): 33.57; (7)ACD/KOC (pH 5.5): 627.79; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 35.53 Å²; (12)Index of Refraction: 1.611; (13)Molar Refractivity: 46.35 cm³; (14)Molar Volume: 133.5 cm³; (15)Surface Tension: 51.2 dyne/cm; (16)Density: 1.319 g/cm³; (17)Flash Point: 163.6 °C; (18)Enthalpy of Vaporization: 62.61 kJ/mol; (19)Boiling Point: 357 °C at 760 mmHg; (20)Vapour Pressure: 1.36E-05 mmHg at 25 °C.

Preparation: this chemical is prepared by 5-Hydroxy-4-methyl-2-oxo-2H-chromene-3-carboxylic acid. The reaction time is 4 mins with reaction temperature of 240 °C. The yield is about 90.7 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 5-(1,1-Dimethyl-prop-2-ynyloxy)-4-methyl-chromen-2-one at ambient temperature. This reaction needs reagent NaH. Meanwhile, it needs solvent Dimethylformamide. Other condition of this reaction is reaction time of 2 hours. The yield is about 35.6 %.

You can still convert the following datas into molecular structure:
(1) SMILES:O=C/2Oc1cccc(O)c1\C(=C\2)C
(2) InChI:InChI=1/C10H8O3/c1-6-5-9(12)13-8-4-2-3-7(11)10(6)8/h2-5,11H,1H3
(3) InChIKey:KZTGTVVRGQELJS-UHFFFAOYAR