2,3-DIMETHYL-2-CYCLOPENTEN-1-ONE

The 2-Cyclopenten-1-one, 2, 3-dimethyl-, with the CAS registry number of 1121-05-7, is also known as 2, 3-Dimethyl-2-cyclopentenone. It belongs to the product categories of C7 to C8; Carbonyl Compounds; Ketones. This chemical's molecular formula is C₇H₁₀O and molecular weight is 110.15. What's more, its IUPAC name is 2, 3-Dimethylcyclopent-2-en-1-one. In addition, it must be stored in a dry, ventilated place at room temperature. Meanwhile, it should be avoided contact with light.

Physical properties about 2-Cyclopenten-1-one, 2, 3-dimethyl- are: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.13; (4)ACD/LogD (pH 7.4): 1.13; (5)ACD/BCF (pH 5.5): 4.24; (6)ACD/BCF (pH 7.4): 4.24; (7)ACD/KOC (pH 5.5): 97.81; (8)ACD/KOC (pH 7.4): 97.81; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 32.2 cm³; (15)Molar Volume: 114.4 cm³; (16)Surface Tension: 29.1 dyne/cm; (17)Density: 0.962 g/cm³; (18)Flash Point: 58.8 °C; (19)Enthalpy of Vaporization: 40.88 kJ/mol; (20)Boiling Point: 172.4 °C at 760 mmHg; (21)Vapour Pressure: 1.33 mmHg at 25 °C.

Preparation of 2-Cyclopenten-1-one, 2, 3-dimethyl-: this chemical is prepared by 2-Ethynyl-2-methyl-cyclobutanone at ambient temperature. The reaction needs reagent MeSO₃H-P₂O₅. The reaction time is 6 hours. The yield is about 65 %.

Uses of 2-Cyclopenten-1-one, 2, 3-dimethyl-: it is used to produce other chemicals. For example, it is used to produce 2, 3-Dimethyl-cyclopent-2-enol. This reaction needs reagent BH₃•THF, catalyst (S)-CBS B-butyloxazaborolidine and solvent Tetrahydrofuran. The reaction time is 6 days with reaction temperature of -80 °C. The yield is about 97 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1/C(=C(/C)CC1)C
(2) InChI: InChI=1/C7H10O/c1-5-3-4-7(8)6(5)2/h3-4H2,1-2H3
(3) InChIKey: UZLQSPYGTUMKGS-UHFFFAOYAP