ETHYL 3-(2-FURYL)PROPIONATE

The 2-Furanpropanoic acid,ethyl ester is an organic compound with the formula C₉H₁₂O₃. The IUPAC name of this chemical is ethyl 3-(furan-2-yl)propanoate. With the CAS registry number 10031-90-0, it is also named as Ethyl 2-furanpropanoate. The product's categories are Alphabetical Listings; E-F; Flavors and Fragrances.

Physical properties about 2-Furanpropanoic acid,ethyl ester are: (1)ACD/LogP: 1.95; (2)ACD/LogD (pH 5.5): 1.95; (3)ACD/LogD (pH 7.4): 1.95; (4)ACD/BCF (pH 5.5): 17.89; (5)ACD/BCF (pH 7.4): 17.89; (6)ACD/KOC (pH 5.5): 274.35; (7)ACD/KOC (pH 7.4): 274.35; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 39.44 Å²; (11)Index of Refraction: 1.466; (12)Molar Refractivity: 43.77 cm³; (13)Molar Volume: 158 cm³; (14)Polarizability: 17.35×10^-24cm³; (15)Surface Tension: 34.1 dyne/cm; (16)Density: 1.064 g/cm³; (17)Flash Point: 92.3 °C; (18)Enthalpy of Vaporization: 45.17 kJ/mol; (19)Boiling Point: 215.4 °C at 760 mmHg; (20)Vapour Pressure: 0.148 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-furan-2-yl-acrylic acid ethyl ester. This reaction will need reagent conc. NH₄OH, H₂, catalyst Raney nickel and solvent ethanol. The yield is about 80%.

Uses of 2-Furanpropanoic acid,ethyl ester: it can be used to produce 3-(5-hydroxymethyl-furan-2-yl)-propionic acid ethyl ester at temperature of 80 °C. It will need reagent CH₃COOH with reaction time of 3 hours. The yield is about 37%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)CCc1occc1
(2)InChI: InChI=1/C9H12O3/c1-2-11-9(10)6-5-8-4-3-7-12-8/h3-4,7H,2,5-6H2,1H3
(3)InChIKey: OWIWZQQFSTZZIG-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C9H12O3/c1-2-11-9(10)6-5-8-4-3-7-12-8/h3-4,7H,2,5-6H2,1H3
(5)Std. InChIKey: OWIWZQQFSTZZIG-UHFFFAOYSA-N