(+/-)-2-PHENYLCYCLOHEPTANONE

The Cycloheptanone,2-phenyl- with CAS registry number of 14996-78-2 is also known as 2-Phenylcycloheptanone. The IUPAC name is 2-Phenylcycloheptan-1-one. In addition, the formula is C₁₃H₁₆O and the molecular weight is 188.27. This chemical is a clear yellow liquid after melting and should be sealed in cool, dry place. During using it, avoid contact with skin and eyes.

Physical properties about Cycloheptanone,2-phenyl- are: (1)ACD/LogP: 2.93; (2)ACD/LogD (pH 5.5): 2.93; (3)ACD/LogD (pH 7.4): 2.93; (4)ACD/BCF (pH 5.5): 100.05; (5)ACD/BCF (pH 7.4): 100.05; (6)ACD/KOC (pH 5.5): 940.51; (7)ACD/KOC (pH 7.4): 940.51; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.527; (11)Molar Refractivity: 56.85 cm³; (12)Molar Volume: 184.8 cm³; (13)Surface Tension: 37.5 dyne/cm; (14)Density: 1.018 g/cm³; (15)Flash Point: 132.1 °C; (16)Enthalpy of Vaporization: 55.25 kJ/mol; (17)Boiling Point: 311.6 °C at 760 mmHg; (18)Vapour Pressure: 0.000557 mmHg at 25 °C.

Preparation of Cycloheptanone,2-phenyl-: it is prepared by reaction of formic acid 2-phenyl-cyclohept-1-enyl ester. The reaction needs reagent cc. HCl and solvents tetrahydrofuran, H₂O at ambient temperature for 30 hours. The yield is about 58%.

Uses of Cycloheptanone,2-phenyl-: it is used to produce 1,2-diphenyl-cycloheptanol by addition reaction with phenyllithium. The reaction occurs with reagent tetrahydrofuran at the temperature of -15 °C. The yield is about 91%.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1CCC(C(=O)CC1)C2=CC=CC=C2
2. InChI: InChI=1S/C13H16O/c14-13-10-6-2-5-9-12(13)11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2
3. InChIKey: PVHNKILPLXXDDZ-UHFFFAOYSA-N