(S)-1-N-Boc-2-methylpiperazine
- CAS NO.:169447-70-5
- Empirical Formula: C10H20N2O2
- Molecular Weight: 200.28
- MDL number: MFCD01862121
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-12-18 16:59:08
What is (S)-1-N-Boc-2-methylpiperazine?
The Uses of (S)-1-N-Boc-2-methylpiperazine
(S)-1-N-Boc-2-methylpiperazine is used in the preparation of pyrazolo[3,4-b]pyridine dual pharmacophores as PDE4-muscarinic antagonists.
Synthesis
A solution of (S)-2-methyl piperazine (2 g, 20 mmol) in THF (200 ml_) was mixed with nBuLi (25 ml, 1.6 M in hexanes, 40 mmol) at rt. The solution was stirred for 30 minutes before TBDMSCI (3.04 g, 20 mmol) was added. The mixture was stirred for 1 hour and then (Boc)2O (5.2 g, 24 mmol) was added to the solution. After 1 hour, the solution was diluted with H2O (50 ml). The organic layer was separated, washed with brine (50 mL), dried over Na2SO4, and concentrated EPO under vacuum. Finally, (S)-1-N-Boc-2-methylpiperazine was obtained after purification.
Properties of (S)-1-N-Boc-2-methylpiperazine
Melting point: | 43.0 to 47.0 °C |
Boiling point: | 268.7±15.0 °C(Predicted) |
Density | 0.997±0.06 g/cm3(Predicted) |
storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
solubility | soluble in Methanol |
form | powder to crystal |
pka | 8.49±0.40(Predicted) |
color | White to Almost white |
InChI | InChI=1S/C10H20N2O2/c1-8-7-11-5-6-12(8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3/t8-/m0/s1 |
CAS DataBase Reference | 169447-70-5(CAS DataBase Reference) |
Safety information for (S)-1-N-Boc-2-methylpiperazine
Signal word | Danger |
Pictogram(s) |
Corrosion Corrosives GHS05 |
GHS Hazard Statements |
H314:Skin corrosion/irritation |
Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P271:Use only outdoors or in a well-ventilated area. |
Computed Descriptors for (S)-1-N-Boc-2-methylpiperazine
InChIKey | DATRVIMZZZVHMP-QMMMGPOBSA-N |
SMILES | N1(C(OC(C)(C)C)=O)CCNC[C@@H]1C |
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