| Identification | Back Directory | [Name]
4-(TRIFLUOROMETHYL)CYCLOHEXANONE | [CAS]
75091-99-5 | [Synonyms]
4-(TRIFLUOROMETHYL)CYCLOHEXANONE
4-(Trifluoromethyl)cyclohexanone97%
Cyclohexanone, 4-(trifluoromethyl)-
4-(TRIFLUOROMETHYL)CYCLOHEXAN-1-ONE
1-Oxo-4-(trifluoromethyl)cyclohexane
4-(Trifluoromethyl)cyclohexanone 97%
4-(Trifluoromethyl)cyclohexan-1-one 97% | [Molecular Formula]
C7H9F3O | [MDL Number]
MFCD00102145 | [MOL File]
75091-99-5.mol | [Molecular Weight]
166.14 |
| Chemical Properties | Back Directory | [Boiling point ]
82 °C | [density ]
1.221 at 25 °C | [refractive index ]
n20/D1.400 | [Fp ]
76℃ | [storage temp. ]
Inert atmosphere,Room Temperature | [form ]
liquid | [color ]
Clear, colourless | [InChI]
InChI=1S/C7H9F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h5H,1-4H2 | [InChIKey]
IPQDZFUZVJKAKZ-UHFFFAOYSA-N | [SMILES]
C1(=O)CCC(C(F)(F)F)CC1 |
| Hazard Information | Back Directory | [Uses]
4-(Trifluoromethyl)cyclohexanone (cas# 75091-99-5) is a compound useful in organic synthesis. | [General Description]
4-(Trifluoromethyl)cyclohexan-1-one is a ketone building block used for biochemical research. | [Synthesis]
To a solution of 4-Trifluoromethylcyclohexanol (4.5 g, 26.7 mmol) in DCM (100 ml) was added Dess-Martin periodinane (13.6 g, 32 mmol) and stirred at rt for 2 h. After the reaction finished, the reaction mixture was concentrated in vacuo, sodium thiosulfate aqueous solution and diethyl ether were added and stirred for 30 min, and extracted with diethyl ether. The organic layer was dried over MgSO 4 , concentrated in vacuo at rt to give 4-(Trifluoromethyl)cyclohexanone (4.2 g, 94.6 %).
| [References]
[1] Patent: WO2008/7930, 2008, A1. Location in patent: Page/Page column 27-28
[2] Journal of Organic Chemistry USSR (English Translation), 1980, vol. 16, p. 1031 - 1038
[3] Zhurnal Organicheskoi Khimii, 1980, vol. 16, # 6, p. 1194 - 1202
[4] Journal of Organic Chemistry, 2006, vol. 71, # 3, p. 1039 - 1042 |
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