2H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 3,4-DIHYDRO-, ETHYL ESTER

The CAS registry number of 2H-1-Benzopyran-2-carboxylicacid,3,4-dihydro-,ethyl ester is 24698-77-9. The systematic name is ethyl 3,4-dihydro-2H-chromene-2-carboxylate. In addition, the molecular formula is C₁₂H₁₄O₃ and the molecular weight is 206.24. It is also called ethyl chromane-2-carboxylate. What's more, it should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 2.83; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 72; (5)ACD/BCF (pH 7.4): 72; (6)ACD/KOC (pH 5.5): 745; (7)ACD/KOC (pH 7.4): 745; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 35.53 Å²; (11)Index of Refraction: 1.525; (12)Molar Refractivity: 55.616 cm³; (13)Molar Volume: 181.425 cm³; (14)Polarizability: 22.048 ×10^-24cm³; (15)Surface Tension: 40.102 dyne/cm; (16)Density: 1.137 g/cm³; (17)Flash Point: 121.838 °C; (18)Enthalpy of Vaporization: 53.992 kJ/mol; (19)Boiling Point: 299.888 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.

Preparation of 2H-1-Benzopyran-2-carboxylicacid,3,4-dihydro-,ethyl ester: it can be prepared by chroman-2-carboxylic acid and ethanol. This reaction will need reagent H₂SO₄ and solvent CH₂Cl₂. The reaction time is 21 hours by heating. The yield is about 93%.

Uses of 2H-1-Benzopyran-2-carboxylicacid,3,4-dihydro-,ethyl ester: it can be used to get ethyl 2,3-dihydrobenzopyran-(2R)-carboxylate. This reaction will need solvent H₂O. The yield is about 45%.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)C1CCc2ccccc2O1
(2)InChI: InChI=1/C12H14O3/c1-2-14-12(13)11-8-7-9-5-3-4-6-10(9)15-11/h3-6,11H,2,7-8H2,1H3
(3)InChIKey: PSOZUQKKUGXCEN-UHFFFAOYAB