3-oxo-3-(piperidin-1-yl)propanenitrile
1-Cyanoacetylpiperidine
CAS: 15029-30-8
Molecular Formula: C8H12N2O
3-oxo-3-(piperidin-1-yl)propanenitrile - Names and Identifiers
| Name | 1-Cyanoacetylpiperidine |
| Synonyms | AKOS B028884 AKOS BBS-00006371 RARECHEM BG FB 0101 TIMTEC-BB SBB000112 N-CYANOACETYLPIPERIDINE 1-Cyanoacetylpiperidine 1-CYANOACETYLPIPERIDINE N-(2-CYANOACETYL)PIPERIDINE 3-OXO-3-PIPERIDINOPROPANENITRILE 3-oxo-3-piperidinopropanenitrile 3-OXO-3-PIPERIDIN-1-YLPROPANENITRILE 3-oxo-3-(piperidin-1-yl)propanenitrile |
| CAS | 15029-30-8 |
| EINECS | 239-111-6 |
| InChI | InChI=1/C8H12N2O/c9-5-4-8(11)10-6-2-1-3-7-10/h1-4,6-7H2 |
3-oxo-3-(piperidin-1-yl)propanenitrile - Physico-chemical Properties
| Molecular Formula | C8H12N2O |
| Molar Mass | 152.19 |
| Density | 1.0996 (rough estimate) |
| Melting Point | 88-91 °C (lit.) |
| Boling Point | 274.67°C (rough estimate) |
| Flash Point | 150.9°C |
| Vapor Presure | 0.000223mmHg at 25°C |
| pKa | 6.18±0.20(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.4940 (estimate) |
| MDL | MFCD00006487 |
3-oxo-3-(piperidin-1-yl)propanenitrile - Risk and Safety
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37 - Irritating to eyes and respiratory system. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S27 - Take off immediately all contaminated clothing. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | UN 3439 6.1/PG 3 |
| WGK Germany | 3 |
| HS Code | 29333999 |
| Hazard Note | Harmful/Irritant |
| Hazard Class | 6.1 |
| Packing Group | III |
3-oxo-3-(piperidin-1-yl)propanenitrile - Introduction
1-Cyanoacetylpiperidine is an organic compound with the chemical formula C9H8N2O. It is a white crystalline solid, soluble in organic solvents such as Alcohols, Ketones and ethers.
1-Cyanoacetylpiperidine has a wide range of applications. It is an important organic synthetic intermediate, which is often used in the pharmaceutical industry to synthesize drugs, especially anti-asthma, anti-allergy and anti-epilepsy drugs. In addition, it can also be used as a colorant, a capsule shell material, and a dye intermediate.
The preparation of 1-Cyanoacetylpiperidine is usually carried out by reacting acetic anhydride and piperidine in the presence of sodium cyanide. This reaction produces 1-Cyanoacetylpiperidine and sodium acetate. After the reaction, purification and separation can be carried out by solvent extraction and crystallization.
When using and handling 1-Cyanoacetylpiperidine, you need to pay attention to its safety issues. It is a flammable substance and should be kept away from fire and high temperature. Suitable personal protective equipment such as chemical gloves, goggles and protective clothing should be worn during operation. Immediately after contact, rinse the skin with plenty of water and seek medical help. At the same time, attention should be paid to avoid inhaling its dust or steam. If it is accidentally inhaled, it should be kept away from a well-ventilated place in time and seek medical assistance. Avoid contact with oxidants, acids and alkalis during storage to prevent chemical reactions or dangerous accidents.
1-Cyanoacetylpiperidine has a wide range of applications. It is an important organic synthetic intermediate, which is often used in the pharmaceutical industry to synthesize drugs, especially anti-asthma, anti-allergy and anti-epilepsy drugs. In addition, it can also be used as a colorant, a capsule shell material, and a dye intermediate.
The preparation of 1-Cyanoacetylpiperidine is usually carried out by reacting acetic anhydride and piperidine in the presence of sodium cyanide. This reaction produces 1-Cyanoacetylpiperidine and sodium acetate. After the reaction, purification and separation can be carried out by solvent extraction and crystallization.
When using and handling 1-Cyanoacetylpiperidine, you need to pay attention to its safety issues. It is a flammable substance and should be kept away from fire and high temperature. Suitable personal protective equipment such as chemical gloves, goggles and protective clothing should be worn during operation. Immediately after contact, rinse the skin with plenty of water and seek medical help. At the same time, attention should be paid to avoid inhaling its dust or steam. If it is accidentally inhaled, it should be kept away from a well-ventilated place in time and seek medical assistance. Avoid contact with oxidants, acids and alkalis during storage to prevent chemical reactions or dangerous accidents.
Last Update：2024-04-09 21:11:58
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