ChemicalBook--->CAS DataBase List--->657-36-3

657-36-3

657-36-3 Structure

657-36-3 Structure
IdentificationBack Directory
[Name]

4-(TRIFLUOROMETHYL)PIPERIDINE
[CAS]

657-36-3
[Synonyms]

4-TrifluorMethylpiperidine
4-(TRIFLUOROMETHYL)PIPERIDINE
4-TrifluoroMethylpiperidine HCI
Piperidine, 4-(trifluoromethyl)-
4-(Trifluoromethyl)piperidine 97%
[Molecular Formula]

C6H10F3N
[MDL Number]

MFCD00102068
[MOL File]

657-36-3.mol
[Molecular Weight]

153.15
Chemical PropertiesBack Directory
[Melting point ]

152-154°C
[Boiling point ]

126-129°C
[density ]

1.129±0.06 g/cm3(Predicted)
[refractive index ]

1.3910 to 1.3950
[storage temp. ]

Keep in dark place,Sealed in dry,2-8°C
[form ]

Liquid
[pka]

9.62±0.10(Predicted)
[color ]

Colorless
[InChI]

InChI=1S/C6H10F3N/c7-6(8,9)5-1-3-10-4-2-5/h5,10H,1-4H2
[InChIKey]

RDRQUUWCJTYHCT-UHFFFAOYSA-N
[SMILES]

N1CCC(C(F)(F)F)CC1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

N
[Risk Statements ]

36/37/38-50
[Safety Statements ]

26-36/37/39-61
[RIDADR ]

2735
[WGK Germany ]

WGK 3
[HazardClass ]

8
[PackingGroup ]

[HS Code ]

2933399990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Acute 1
Aquatic Chronic 1
Hazard InformationBack Directory
[Uses]

4-(Trifluoromethyl)piperidine is used in the preparation of retinoid-related orphan receptor inhibitors.
[Synthesis]

4-(Trifluoromethyl)pyridine

3796-24-5

4-(TRIFLUOROMETHYL)PIPERIDINE

657-36-3

GENERAL STEPS: An autoclave (Par 477) equipped with PID temperature control and kinetic measurement storage and a HEL 24 Cat reactor for substrate range testing were used as the reactor for the hydrogenation reaction. In standard experiments, the autoclave was placed in a glove box and the desired Rh NPs (1.25 or 0.625 mol%; catalyst concentration was calculated based on the total number of metallic Rh atoms on the NP surface) and the substrate (concentration of 0.124 M in THF) were added. Subsequently, molecular hydrogen was passed until the set pressure was reached and the reaction was stirred at the selected temperature for the desired time. Upon completion of the reaction, the autoclave was depressurized and the solution was filtered through silica gel for subsequent GC analysis. The conversion and selectivity of each reaction product was determined by GC-FID on an Agilent Technologies 7890A spectrometer using undecane as an internal standard on an HP-5 column (30 m × 0.25 mm × 0.25 μm).The TOF (conversion frequency) was defined as the number of moles of product generated per mole of Rh per hour on the NP surface.

[References]

[1] Journal of Catalysis, 2017, vol. 354, p. 113 - 127
Spectrum DetailBack Directory
[Spectrum Detail]

4-(TRIFLUOROMETHYL)PIPERIDINE(657-36-3)1HNMR
4-(TRIFLUOROMETHYL)PIPERIDINE(657-36-3)1HNMR
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