1-(4-BOC-piperidyl)-4-iodopyrazole
- CAS NO.:877399-73-0
- Empirical Formula: C13H20IN3O2
- Molecular Weight: 377.22
- MDL number: MFCD12913927
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-06-27 15:15:15
What is 1-(4-BOC-piperidyl)-4-iodopyrazole?
Synthesis
1-(4-BOC-piperidyl)-4-iodopyrazole is prepared by the reaction of 4-Iodopyrazole and 1-Boc-4-methanesulfonyloxypiperidine. The specific synthesis steps are as follows:
To a stirred solution of 4-iodo-lH-pyrazole (8.98 g, 46.28 mmol) in DCM (160 mL) was added NaH (1.67 g, 55.53 mmol, 80percent NaH/mineral oil) portion-wise at 0 °C. The mixture was stirred at 0 °C for 1 hour, then tert-butyl 4-((methylsulfonyl)oxy)piperidine-l- carboxylate (14.22 g, 50.90 mmol) was added. The resulted mixture was stirred at 100 °C for 15 hours, then cooled to rt, quenched with H20 (30 mL) and concentrated in vacuo. The residue was diluted with H20 (150 mL), and the mixture was extracted with EtOAc (100 mL x 5). The combined organic layers were dried over anhydrous Na2S04 and concentrated in vacuo. The residue was purified by a silica gel column chromatography (PE/EtOAc (v/v) = 5/1) to give 1-(4-BOC-piperidyl)-4-iodopyrazole as a white solid (12.25 g, 70.2percent>). MS (ESI, pos. ion) m/z: 322.0 (M-56+1).
Properties of 1-(4-BOC-piperidyl)-4-iodopyrazole
Melting point: | 97 °C |
Boiling point: | 430.6±35.0 °C(Predicted) |
Density | 1.60±0.1 g/cm3(Predicted) |
storage temp. | 2-8°C(protect from light) |
pka | 1.08±0.19(Predicted) |
form | Solid |
Sensitive | Light Sensitive |
Safety information for 1-(4-BOC-piperidyl)-4-iodopyrazole
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for 1-(4-BOC-piperidyl)-4-iodopyrazole
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JSK Chemicals
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