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126501-70-0

126501-70-0 Structure

126501-70-0 Structure
IdentificationBack Directory
[Name]

1-(2,2,2-TRIFLUOROACETYL)-4-PIPERIDINECARBOXYLIC ACID
[CAS]

126501-70-0
[Synonyms]

Albb-003872
N-TRIFLUOROACETYL ISONIPECOTIC ACID
1-(trifluoroacetyl)piperidine-4-carboxylic acid
1-(trifluoroacetyl)-4-piperidinecarboxylic acid
1-(2,2,2-TRIFLUOROACETYL)-4-PIPERIDINECARBOXYLIC ACID
1-(2,2,2-Trifluoro-acetyl)piperidin-4-carboxylic acid
1-(2,2,2-Trifluoroacetyl)piperidine-4-carboxylic acid
4-Piperidinecarboxylic acid, 1-(2,2,2-trifluoroacetyl)-
1-(trifluoroacetyl)-4-piperidinecarboxylic acid(SALTDATA: FREE)
[Molecular Formula]

C8H10F3NO3
[MDL Number]

MFCD03840837
[MOL File]

126501-70-0.mol
[Molecular Weight]

225.17
Chemical PropertiesBack Directory
[Melting point ]

117 °C(Solv: hexane (110-54-3); ethyl ether (60-29-7))
[Boiling point ]

386.6±42.0 °C(Predicted)
[density ]

1.430±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

4.27±0.20(Predicted)
[Appearance]

White to off-white Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

T
[Risk Statements ]

25
[Safety Statements ]

45
[HazardClass ]

IRRITANT
[HS Code ]

2933399990
Spectrum DetailBack Directory
[Spectrum Detail]

1-(2,2,2-TRIFLUOROACETYL)-4-PIPERIDINECARBOXYLIC ACID(126501-70-0)1HNMR
Hazard InformationBack Directory
[Synthesis]

Isonipecotic acid

498-94-2

Trifluoromethanesulfonic anhydride

358-23-6

1-(2,2,2-TRIFLUOROACETYL)-4-PIPERIDINECARBOXYLIC ACID

126501-70-0

Example 17A1 Synthesis of 1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid: to a solution of piperidine-4-carboxylic acid (4 g, 30.97 mmol) in dichloromethane (20 mL) was added slowly and dropwise to trifluoromethanesulfonic anhydride (7.8 g) at 0 °C. The reaction mixture was stirred at 0 °C overnight. After completion of the reaction, the reaction solution was diluted with water, the organic layer was separated and concentrated. The crude product was purified by silica gel column chromatography to afford the title compound in 70% yield as a white solid.

[References]

[1] Patent: WO2013/10453, 2013, A1. Location in patent: Page/Page column 109
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