1-benzylpiperidine-4-carbonitrile
1-benzylpiperidine-4-carbonitrile
CAS: 62718-31-4
Molecular Formula: C13H16N2
1-benzylpiperidine-4-carbonitrile - Names and Identifiers
| Name | 1-benzylpiperidine-4-carbonitrile |
| Synonyms | OTAVA-BB 1369796 1-Benzyl-4-cyanopiperidine 1-N-BENZYL-4-CYANOPIPERIDINE 1-benzylpiperidine-4-carbonitrile 1-BENZYLPIPERIDINE-4-CARBONITRILE 1-Benzylpiperidine-4-carbonitrile 1-Benzyl-4-piperidinecarbonitrile 1-Benzyl-piperidine-4-carbonitrile 4-Piperidinecarbonitrile, 1-(phenylmethyl)- 4-Piperidinecarbonitrile, 1-(phenylMethyl)- |
| CAS | 62718-31-4 |
| InChI | InChI=1/C13H16N2/c14-10-12-6-8-15(9-7-12)11-13-4-2-1-3-5-13/h1-5,12H,6-9,11H2 |
1-benzylpiperidine-4-carbonitrile - Physico-chemical Properties
| Molecular Formula | C13H16N2 |
| Molar Mass | 200.28 |
| Density | 1.06 |
| Boling Point | 330.3±35.0 °C(Predicted) |
| Flash Point | 139.6°C |
| Vapor Presure | 0.000168mmHg at 25°C |
| pKa | 6.95±0.10(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.563 |
| MDL | MFCD01540574 |
1-benzylpiperidine-4-carbonitrile - Risk and Safety
| HS Code | 29333990 |
1-benzylpiperidine-4-carbonitrile - Reference Information
| Overview | 1-benzyl-4-cyanopiperidine is an organic intermediate, which can be made of piperidin-4-formamide and benzyl Bromine is prepared by two steps as the starting material or prepared by the reductive amination of 4-cyanopiperidine and benzaldehyde. |
| application | 1-benzyl-4-cyanopiperidine is an organic synthesis intermediate and pharmaceutical intermediate, which can be used in laboratory research and development process and chemical medicine research and development process. |
| preparation | step 1 preparation of intermediate 1-benzyl -4-carbonyl amide piperidine added benzyl bromide (22.0g,0.13 mol) to piperidine -4-formamide (16.5g,0.13 mol) and K2CO3(35.6g,0.26 mol) in the stirred suspension of EtOH(350 ml) and heated and refluxed for 3 h, cool to room temperature and filter. The filtrate was evaporated in vacuum and H2O(200ml) was added. Water layers were extracted with CH2Cl2(3 × 150ml), organic layers were combined, dried with Na2SO4 and filtered. Vacuum evaporates the solvent to obtain the product, which is a white solid (20.0g,71.0%). Step 2 Preparation of Intermediate 1-benzyl-4-cyanopiperidine 1-benzyl-4-carbonylamide piperidine (20.0g,91.7 mmol) was mixed with P2O5(16.92,119.2 mmol) and heated in argon at 180-200°C for 3 h, cooled to room temperature and added H2O(150 ml). Carefully add K2CO3 to alkalize the aqueous solution and then extract with EtOAc(3 × 150 ml). The organic extract is dried by Na2SO4, filtered, and the solvent is evaporated in vacuum to obtain yellow oil (16.7g,90.9%). |
Last Update：2024-04-09 19:05:04
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