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ChemicalBook--->CAS DataBase List--->62718-31-4

62718-31-4

62718-31-4 Structure

62718-31-4 Structure
IdentificationBack Directory
[Name]

1-BENZYLPIPERIDINE-4-CARBONITRILE
[CAS]

62718-31-4
[Synonyms]

OTAVA-BB 1369796
1-N-BENZYL-4-CYANOPIPERIDINE
1-Benzyl-4-piperidinecarbonitrile
1-BENZYLPIPERIDINE-4-CARBONITRILE
1-Benzylpiperidine-4-carbonitrile ,97%
4-Piperidinecarbonitrile, 1-(phenylMethyl)-
[Molecular Formula]

C13H16N2
[MDL Number]

MFCD01540574
[MOL File]

62718-31-4.mol
[Molecular Weight]

200.283
Chemical PropertiesBack Directory
[Boiling point ]

330.3±35.0 °C(Predicted)
[density ]

1.06
[storage temp. ]

2-8°C
[pka]

6.95±0.10(Predicted)
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

29333990
Hazard InformationBack Directory
[Uses]

1-Benzylpiperidine-4-carbonitrile is an intermediate in organic synthesis and pharmaceutical intermediate for lab R&D.
[Synthesis]

Synthetic route of 1-benzyl-4-cyanopiperidine

Step 1 Preparation of intermediate 1-benzyl-4-carbonylamide piperidine

To piperidine-4-carboxamide (16.5 g, 0.13 mol ) and K2CO3 (35.6 g, 0.26 mol) in EtOH (350 ml) was added benzyl bromide (22.0 g, 0.13 mol) And heated to reflux for 3 h, cooled to room temperature and filtered. The filtrate was evaporated in vacuo and H2O (200ml) was added. The aqueous layer was extracted with CH2Cl2 (3×150ml), the organic layers were combined, and Na2SO4Dry and filter. The solvent was evaporated in vacuo to give the product as a white solid (20.0 g, 71.0%).

Step 2 Preparation of intermediate 1-benzyl-4-cyanopiperidine

1-benzyl-4-carbonylamide piperidine (20.0 g, 91.7 mmol) Mixed with P2O5 (16.92, 119.2 mmol) and heated under argon at 180-200°C for 3 h, cooled to room temperature and added H2O (150 ml). The aqueous solution was basified by the careful addition of K2CO3 and then extracted with EtOAc (3× 150 ml). The organic extract was dried over Na2SO4, filtered and the solvent evaporated in vacuo to give a yellow oil (16.7 g, 90.9%).

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