1-(Phenylmethyl)-4-piperidinone
N-Benzyl-4-piperidone
CAS: 3612-20-2
Molecular Formula: C12H15NO
1-(Phenylmethyl)-4-piperidinone - Names and Identifiers
1-(Phenylmethyl)-4-piperidinone - Physico-chemical Properties
| Molecular Formula | C12H15NO |
| Molar Mass | 189.25 |
| Density | 1.021g/mLat 25°C(lit.) |
| Boling Point | 134°C7mm Hg(lit.) |
| Flash Point | >230°F |
| Water Solubility | 12 g/L (20 ºC) |
| Solubility | 12g/l |
| Vapor Presure | 0.079-0.15Pa at 20-25℃ |
| Appearance | Oily Liquid |
| Specific Gravity | 1.021 |
| Color | Clear colorless to straw |
| BRN | 128556 |
| pKa | 7.07±0.20(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | n20/D 1.541(lit.) |
| Physical and Chemical Properties | Boiling point 134 ℃(0.93kPa), relative density 1.0523(24/24 ℃), refractive index 1.5399, flash point> 110 ℃. |
| Use | For the synthesis of the raw material of |
1-(Phenylmethyl)-4-piperidinone - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R43 - May cause sensitization by skin contact R22 - Harmful if swallowed R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection |
| WGK Germany | 3 |
| HS Code | 29333999 |
| Hazard Note | Irritant |
1-(Phenylmethyl)-4-piperidinone - Reference Information
| LogP | 2.1 at 20℃ and pH9 |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| use | for the synthesis of penfluridol bulk drug pharmaceutical intermediates |
| production method | benzylamine is obtained by addition, cyclosynthesis salt, hydrolysis elimination and other steps. 1. N,N-bis (β-methyl propionate) benzylamine was prepared by reaction of addition benzylamine with methyl acrylate. 2. Preparation of 1-benzyl-3-methyl formate piperidone [4] hydrochloride by cyclidiation and salt formation. 3. Hydrolysis and elimination to produce 1-benzylpiperidone [4]. |
Last Update：2024-04-09 19:05:09
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