Ethyl 3-(2-furyl)-3-oxopropanoate

The CAS register number of Ethyl 3-(2-furyl)-3-oxopropanoate is 615-09-8. It also can be called as 3-(2-Furyl)-3-oxopropanoic acid ethyl ester. The molecular formula about this chemical is C₉H₁₀O₄ and the molecular weight is 182.17.

Physical properties about Ethyl 3-(2-furyl)-3-oxopropanoate are: (1)ACD/LogP: 0.72; (2)ACD/LogD (pH 5.5): 0.72; (3)ACD/LogD (pH 7.4): 0.72; (4)ACD/BCF (pH 5.5): 2.08; (5)ACD/BCF (pH 7.4): 2.07; (6)ACD/KOC (pH 5.5): 58.83; (7)ACD/KOC (pH 7.4): 58.55; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 56.51 Å²; (11)Index of Refraction: 1.476; (12)Molar Refractivity: 44.25 cm³; (13)Molar Volume: 156.7 cm³; (14)Polarizability: 17.54x10^-24cm³; (15)Surface Tension: 38.5 dyne/cm; (16)Density: 1.162 g/cm³; (17)Flash Point: 107.6 °C; (18)Enthalpy of Vaporization: 49.17 kJ/mol; (19)Boiling Point: 254.2 °C at 760 mmHg; (20)Vapour Pressure: 0.0174 mmHg at 25 °C.

Preparation: this chemical can be prepared by 1-furan-2-yl-ethanone and carbonic acid diethyl ester. This reaction needs heating. This reaction will need reagent of sodium hydride and solvent of benzene. The reaction time is 1 hour. The yield is about 79%.

Uses of : it can be used to produce ethyl 3-amino-3-(2-furyl)propenoate. This reaction will need reagent of AcONH₄, AcOH and solvent of benzene. This reaction needs heating. The reaction time is 25 hours. The yield is about 70%.

When you are using this chemical, please be cautious about it as the following:
When you are using this chemical, do not breathe dust and avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1occc1)CC(=O)OCC
(2)InChI: InChI=1/C9H10O4/c1-2-12-9(11)6-7(10)8-4-3-5-13-8/h3-5H,2,6H2,1H3
(3)InChIKey: PKHYBBXBBXOGMZ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C9H10O4/c1-2-12-9(11)6-7(10)8-4-3-5-13-8/h3-5H,2,6H2,1H3
(5)Std. InChIKey: PKHYBBXBBXOGMZ-UHFFFAOYSA-N