METHYL 1-CYCLOPENTENE-1-CARBOXYLATE

This chemical is called Methyl cyclopent-1-ene-1-carboxylate, and its CAS registry number is 25662-28-6. With the molecular formula of C₇H₁₀O₂, its molecular weight is 126.15. Additionally, its product categories are Miscellaneous; C6 to C7; Carbonyl Compounds; Esters. In addition, this chemical should be sealed in the cool and dry plcace.

Other characteristics of the Methyl cyclopent-1-ene-1-carboxylate can be summarised as followings: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.87; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 15.66; (6)ACD/BCF (pH 7.4): 15.66; (7)ACD/KOC (pH 5.5): 249.34; (8)ACD/KOC (pH 7.4): 249.34; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.483; (14)Molar Refractivity: 33.6 cm³; (15)Molar Volume: 117.6 cm³; (16)Polarizability: 13.32×10^-24cm³; (17)Surface Tension: 37 dyne/cm; (18)Density: 1.072 g/cm³; (19)Flash Point: 50.5 °C; (20)Enthalpy of Vaporization: 39.79 kJ/mol; (21)Boiling Point: 161.3 °C at 760 mmHg; (22)Vapour Pressure: 2.28 mmHg at 25°C.

Production method of this chemical: The Methyl cyclopent-1-ene-1-carboxylate could be obtained by the reactants of methanol and cyclopent-1-enecarboxylic acid. This reaction needs the reagent of conc. H₂SO₄. The yield is 75 %. In addition, this reaction should be taken for 4 hours. The other condition is heating.

Uses of this chemical: The cyclopent-1-enyl-methanol could be obtained by the reactant of Methyl cyclopent-1-ene-1-carboxylate. This reaction needs the reagent of DIBAL, and the solvent of diethyl ether. The yield is 75 %. This reaction should be taken for 30 minutes at the temperature of 0 °C.

When you are using this chemical, please be cautious about it as the following: Do not breathe vapour. Avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)/C1=C/CCCl
2.InChI: InChI=1/C7H10O2/c1-9-7(8)6-4-2-3-5-6/h4H,2-3,5H2,1H3
3.InChIKey: VTYCAXIAUKEGBQ-UHFFFAOYAZ