9-METHOXY-2,3-DIHYDROFURO[3,2-G]COUMARIN

The CAS register number of 9-Methoxy-2,3-dihydro-7H-furo[3,2-g]chromen-7-one is 3779-03-1. It also can be called as 7H-Furo(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-9-methoxy- and the IUPAC name about this chemical is 9-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one. The molecular formula about this chemical is C₁₂H₁₀O₄ and the molecular weight is 218.20.

Physical properties about 9-Methoxy-2,3-dihydro-7H-furo[3,2-g]chromen-7-one are: (1)ACD/LogP: 2.05; (2)ACD/LogD (pH 5.5): 2.05; (3)ACD/LogD (pH 7.4): 2.05; (4)ACD/BCF (pH 5.5): 21.28; (5)ACD/BCF (pH 7.4): 21.28; (6)ACD/KOC (pH 5.5): 310.59; (7)ACD/KOC (pH 7.4): 310.59; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 44.76Ų; (11)Index of Refraction: 1.606; (12)Molar Refractivity: 55.61 cm³; (13)Molar Volume: 161.2 cm³; (14)Polarizability: 22.04x10^-24cm³; (15)Surface Tension: 51.3 dyne/cm; (16)Enthalpy of Vaporization: 67.5 kJ/mol; (17)Boiling Point: 421 °C at 760 mmHg; (18)Vapour Pressure: 2.69E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by 9-methoxy-furo[3,2-g]chromen-7-one. This reaction will need reagent 10percent palladium on carbon, cyclohexene and solvent aq. ethanol. The reaction time is 30 min at heating. The yield is about 71%.

Uses of 9-Methoxy-2,3-dihydro-7H-furo[3,2-g]chromen-7-one: it can be used to produce 4'-oxo-5'-acetoxy-8-methoxypsoralen with acetic acid. This reaction will need reagent chloranil (TCBQ), O₂ and solvent acetonitrile with reaction time of 25 hours. The yield is about 73%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/3Oc2c(OC)c1OCCc1cc2\C=C\3
(2)InChI: InChI=1/C12H10O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-3,6H,4-5H2,1H3
(3)InChIKey: BUNGCZLFHHXKBX-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C12H10O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-3,6H,4-5H2,1H3
(5)Std. InChIKey: BUNGCZLFHHXKBX-UHFFFAOYSA-N