4-HYDROXY-7-METHOXYCOUMARIN

The CAS register number of 2H-1-Benzopyran-2-one,4-hydroxy-7-methoxy- is 17575-15-4. It also can be called as 7-Methoxy-4-hydroxycoumarin and the systematic name about this chemical is 4-hydroxy-7-methoxy-2H-chromen-2-one. The molecular formula about this chemical is C₁₀H₈O₄ and the molecular weight is 192.17. It belongs to the following product categories which include Fluorescent Labels and Indicators; Aromatics; Fluorescent Labels & Indicators and so on.

Physical properties about 2H-1-Benzopyran-2-one,4-hydroxy-7-methoxy- are: (1)ACD/LogP: 2.25; (2)ACD/LogD (pH 7.4): -1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 15; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 55.76 Å²; (11)Index of Refraction: 1.624; (12)Molar Refractivity: 48.032 cm³; (13)Molar Volume: 136.079 cm³; (14)Polarizability: 19.041x10^-24cm³; (15)Surface Tension: 59.246 dyne/cm; (16)Density: 1.412 g/cm³; (17)Flash Point: 161.977 °C; (18)Enthalpy of Vaporization: 67.456 kJ/mol; (19)Boiling Point: 390.141 °C at 760 mmHg.

Preparation: this chemical can be prepared by 3-methoxy-phenol and malonic acid. This reaction will need reagent of phosphorus oxychloride. The reaction time is 4 hours with reaction temperature of 105 °C. The yield is about 54%.

Uses of 2H-1-Benzopyran-2-one,4-hydroxy-7-methoxy-: it can be used to produce 7-methoxy-4-(3-methyl-but-2-enyloxy)-chromen-2-one with 1-bromo-3-methyl-but-2-ene. This reaction will need reagent of K₂CO₃ and solvent of acetone. The yield is about 42%.

 

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin and it may cause inflammation to the skin or other mucous membranes. If you want to use it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc2c(c1)OC(=O)/C=C2/O
(2)InChI: InChI=1/C10H8O4/c1-13-6-2-3-7-8(11)5-10(12)14-9(7)4-6/h2-5,11H,1H3
(3)InChIKey: MJBHLQMPKBMZSF-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C10H8O4/c1-13-6-2-3-7-8(11)5-10(12)14-9(7)4-6/h2-5,11H,1H3
(5)Std. InChIKey: MJBHLQMPKBMZSF-UHFFFAOYSA-N