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| CAS No.: | 2867-63-2 |
|---|---|
| Name: | 2-BENZYL-CYCLOPENTANONE |
| Article Data: | 53 |
| Molecular Structure: | |
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| Formula: | C12H14O |
| Molecular Weight: | 174.243 |
| Synonyms: | Cyclopentanone, 2-benzyl- (6CI,7CI,8CI);2-Benzylcyclopentanone;2-Benzylcyclopentanone;2-Benzyl-cyclopentanone; |
| Density: | 1.065 g/cm3 |
| Boiling Point: | 285.1 °C at 760 mmHg |
| Flash Point: | 118.7 °C |
| PSA: | 17.07000 |
| LogP: | 2.59830 |
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Specification
The Cyclopentanone, 2-(phenylmethyl)-, with the CAS registry number 2867-63-2, is also known as 2-Benzyl-cyclopentanone. This chemical's molecular formula is C12H14O and formula weight is 174.24. What's more, its systematic name is 2-benzylcyclopentanone.
Physical properties of Cyclopentanone, 2-(phenylmethyl)- are: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.553; (8)Molar Refractivity: 52.35 cm3; (9)Molar Volume: 163.5 cm3; (10)Polarizability: 20.75×10-24cm3; (11)Density: 1.065 g/cm3; (12)Flash Point: 118.7 °C; (13)Enthalpy of Vaporization: 52.42 kJ/mol; (14)Boiling Point: 285.1 °C at 760 mmHg; (15)Vapour Pressure: 0.00285 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-(trimethylsiloxy)cyclopentene, bromomethyl-benzene at the temperature of 20°C. This reaction will need reagent tetrabutylammonium difluorotriphenylstannate and solvent tetrahydrofuran with the reaction time of 6 hours. The yield is about 100%.
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Uses of Cyclopentanone, 2-(phenylmethyl)-: it can be used to produce 2-Benzyl-1-methylenecyclopentane at the temperature of 80°C. It will need reagent t-C5H11ONa and solvent toluene. The yield is about 95%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=C2C(Cc1ccccc1)CCC2
(2)InChI: InChI=1S/C12H14O/c13-12-8-4-7-11(12)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2
(3)InChIKey: TVKMRMXVNWHKTF-UHFFFAOYSA-N