N-Boc-piperidine-2-methanol
N-Boc-piperidine-2-methanol
CAS: 157634-00-9
Molecular Formula: C11H21NO3
N-Boc-piperidine-2-methanol - Names and Identifiers
N-Boc-piperidine-2-methanol - Physico-chemical Properties
| Molecular Formula | C11H21NO3 |
| Molar Mass | 215.29 |
| Density | 1.059±0.06 g/cm3(Predicted) |
| Melting Point | 74-78 °C |
| Boling Point | 308.0±15.0 °C(Predicted) |
| Flash Point | 140.1°C |
| Vapor Presure | 6.41E-05mmHg at 25°C |
| Appearance | Crystalline Powder |
| Color | White |
| pKa | 15.08±0.10(Predicted) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Refractive Index | 1.479 |
N-Boc-piperidine-2-methanol - Risk and Safety
| Hazard Symbols | T - Toxic |
| Risk Codes | R25 - Toxic if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | UN 2811 |
| WGK Germany | 3 |
| HS Code | 29333990 |
| Hazard Class | IRRITANT |
N-Boc-piperidine-2-methanol - Reference Information
| properties | 2-(hydroxymethyl) piperidine -1-tert-butyl formate has a melting point of 74-78°C, a boiling point of 308.0±15.0°C(Predicted), a density of 1.059±0.06g/cm3(Predicted), and an acidity coefficient (pKa) of 15.08±0.10(Predicted). |
| use | 2-(hydroxymethyl) piperidine -1-tert-butyl formate and its derivatives have good biological activity, and can not only be used to synthesize GABA intake inhibitors and anti-tumor drugs, it can also synthesize growth hormone secretagogue, anti-inflammatory and analgesic drugs, cardiovascular drugs, intelligence-promoting drugs, anti-influenza virus drugs and bone disease drugs. |
| synthesis method | triethylamine (23.34 mL,156.42 mmol) is added dropwise to the solution of 2-piperidine methanol (5.00g,43.45 mmol) stored in dichloromethane (150 mL), and the solution is stirred for 1 hour after complete addition. The solution of di-tert-butyl dicarbonate (Boc2O,11.38g,52.14 mmol) stored in dichloromethane (20 mL) was then added dropwise to the solution and stirred for extra hours after complete addition. Pour the reactant into 50 mL of water. The organic phase was extracted with water and the aqueous phase was extracted with dichloromethane (220 mL). The combined organic phase was washed with brine, dried by MgSO4 and filtered, and the solvent was removed in vacuum. The crude product was purified by column chromatography using silica gel and hexane/EtOAc(1:1) to obtain white solid ethanol 4(7.865g,84%). Several peaks in 1H NMR appear broadening due to the presence of a rotating body associated with carbamate. the yield of 2-(hydroxymethyl) piperidine -1-tert-butyl formate was 7.865g,84%. Mp 75-77°C (L Mp 74-78°C). 1 H nuclear magnetic resonance (300 MHz,CDCl3)δ:4.29(1 H,m),3.94(1 H, 2x br s),3.81(1 H; Dd, J = 10.8,9.1Hz,CH2OH),3.61(1 H,dd,J = 10.5,5.9Hz,CH2 OH), 2.87(1 H(br t), 2.12(1 H), br s), 1.53-1.73(6H,m), 1.46(9 H,s,tBu). 13C NMR (75 MHz,CDCl3):156.6,80.0,61.9,52.7,40.1,28.6,25.5,25.4,19.8. The infrared spectral data are as follows: 3418,2934,1668 cm-1. M/S(EI)M/z:215(M +),184,142,128(100%),84,57. |
Last Update：2024-04-09 19:05:03
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