7-METHOXYCOUMARIN-3-CARBOXYLIC ACID

The 7-Methoxy-2-oxo-2H-chromene-3-carboxylic acid, with CAS registry number 20300-59-8, belongs to the following product categories: (1)Biochemicals and Reagents; (2)DetectionFluorescent Probes, Labels, Particles and Stains; (3)Fluorescent Probes, Labels, Particles and Stains; (4)Functional Group Reactive Labels; (5)Functional Group Reactive Labels for SpectroscopyFluorescent Indicators and Probes; (6)Lipophilic and Membrane Probes; (7)Other Non-Polar or Lipophilic Probes. It has the systematic name of 7-methoxy-2-oxo-2H-chromene-3-carboxylic acid.

Physical properties of 7-Methoxy-2-oxo-2H-chromene-3-carboxylic acid: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.74; (4)ACD/LogD (pH 7.4): -2.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 61.83 Å²; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 52.54 cm³; (15)Molar Volume: 151.3 cm³; (16)Polarizability: 20.83×10^-24cm³; (17)Surface Tension: 60.9 dyne/cm; (18)Enthalpy of Vaporization: 71.57 kJ/mol; (19)Vapour Pressure: 5.84E-08 mmHg at 25°C.

Preparation: this chemical can be prepared by 7-methoxy-2-oxo-2H-chromene-3-carboxylic acid ethyl ester. This reaction will need reagent aq.-ethanolic KOH-solution.

Uses of 7-Methoxy-2-oxo-2H-chromene-3-carboxylic acid: it can be used to produce 3-(7-methoxycoumarin-3-carbonyl)-2-oxazolone. This reaction will need reagent Et₃N and solvent CH₂Cl₂. The reaction time is 12 hour(s) with reaction temperature of 50 ℃. The yield is about 45%.

When you are using this chemical, please be cautious about it as the following:
The 7-Methoxy-2-oxo-2H-chromene-3-carboxylic acid irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: O=C(O)C\1=C\c2c(OC/1=O)cc(OC)cc2
(2)InChI: InChI=1/C11H8O5/c1-15-7-3-2-6-4-8(10(12)13)11(14)16-9(6)5-7/h2-5H,1H3,(H,12,13)
(3)InChIKey: VEEGNDSSWAOLFN-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C11H8O5/c1-15-7-3-2-6-4-8(10(12)13)11(14)16-9(6)5-7/h2-5H,1H3,(H,12,13)
(5)Std. InChIKey: VEEGNDSSWAOLFN-UHFFFAOYSA-N