CARBONIC ACID ALLYL ETHYL ESTER

The Carbonic acid, ethyl2-propen-1-yl ester, with the CAS registry number 1469-70-1, is also known as Carbonic acid, allyl ethyl ester. This chemical's molecular formula is C₆H₁₀O₃ and molecular weight is 130.1418. Its IUPAC name is called ethyl prop-2-enyl carbonate. When you are using this chemical, please be cautious about it. This chemical is flammable. You should keep it away from sources of ignition - No smoking. What's more, the product should be sealed and stored in cool, dry and well-ventilated place.

Physical properties of Carbonic acid, ethyl2-propen-1-yl ester: (1)ACD/LogP: 1.51; (2)ACD/LogD (pH 5.5): 1.51; (3)ACD/LogD (pH 7.4): 1.51; (4)ACD/BCF (pH 5.5): 8.22; (5)ACD/BCF (pH 7.4): 8.22; (6)ACD/KOC (pH 5.5): 157.2; (7)ACD/KOC (pH 7.4): 157.2; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.413; (11)Molar Refractivity: 33.09 cm³; (12)Molar Volume: 132.5 cm³; (13)Surface Tension: 27.7 dyne/cm; (14)Density: 0.982 g/cm³; (15)Flash Point: 45.6 °C; (16)Enthalpy of Vaporization: 37.03 kJ/mol; (17)Boiling Point: 132.7 °C at 760 mmHg; (18)Vapour Pressure: 8.75 mmHg at 25°C.

Preparation of Carbonic acid, ethyl2-propen-1-yl ester: this chemical can be prepared by prop-2-en-1-ol and carbonochloridic acid ethyl ester. This reaction will need reagents pyridine and chloroform.

Uses of Carbonic acid, ethyl2-propen-1-yl ester: it can be used to produce 1-allyl-1H-pyridin-2-one at ambient temperature. This reaction will need reagents Pd(acac)₂, triphenylphosphine and solvent tetrahydrofuran with reaction time of 16 hours. The yield is about 70%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)OCC=C
(2)InChI: InChI=1S/C6H10O3/c1-3-5-9-6(7)8-4-2/h3H,1,4-5H2,2H3
(3)InChIKey: BGSFCOHRQUBESL-UHFFFAOYSA-N