Introduction：Basic information about (S)-1-N-Boc-2-methylpiperazine CAS 169447-70-5, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
(S)-1-N-Boc-2-methylpiperazine Basic information
| Product Name: | (S)-1-N-Boc-2-methylpiperazine |
| Synonyms: | 1-Boc-2-(S)-Methyl Piperazine;TERT-BUTYL (2S)-2-METHYPIPERAZINE-1-CARBOXYLATE;(R)-2-METHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;(R)-2-METHYL-1-BOC-PIPERAZINE;(S)-TERT-BUTYL 2-METHYLPIPERAZINE-1-CARBOXYLATE;(S)-1-N-BOC-2-METHYL PIPERAZINE;(S)-2-METHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;(R)-TERT-BUTYL 2-METHYLPIPERAZINE-1-CARBOXYLATE |
| CAS: | 169447-70-5 |
| MF: | C10H20N2O2 |
| MW: | 200.28 |
| EINECS: | |
| Product Categories: | Chiral Reagents;Heterocycles;pharmacetical;Piperaizine |
| Mol File: | 169447-70-5.mol |
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(S)-1-N-Boc-2-methylpiperazine Chemical Properties
| 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 |
| pka | 8.49±0.40(Predicted) |
| form | powder to crystal |
| color | White to Almost white |
| Optical Rotation | Consistent with structure |
| 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 |
| InChIKey | DATRVIMZZZVHMP-QMMMGPOBSA-N |
| SMILES | N1(C(OC(C)(C)C)=O)CCNC[C@@H]1C |
| CAS DataBase Reference | 169447-70-5(CAS DataBase Reference) |
Safety Information
| RIDADR | UN3077 |
| HS Code | 2933599590 |
(S)-1-N-Boc-2-methylpiperazine Usage And Synthesis
| Uses | (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. |
| References | [1] Patent: WO2006/55553, 2006, A2. Location in patent: Page/Page column 36; 37
[2] Journal of Organic Chemistry, 1995, vol. 60, # 13, p. 4177 - 4183 |
(S)-1-N-Boc-2-methylpiperazine Preparation Products And Raw materials
| Raw materials | (S)-1-BENZYL-3-METHYLPIPERAZINE-2,5-DIONE-->(S)-TERT-BUTYL 4-BENZYL-2-METHYLPIPERAZINE-1-CARBOXYLATE-->(S)-METHYL 2-(2-CHLOROACETAMIDO) PROPANOATE-->2-(S)-METHYLPIPERAZINE-1,4-DICARBOXYLIC ACID 4-BENZYL ESTER 1-TER-BUTYL ESTER-->(S)-(+)-2-Methylpiperazine-->(S)-2-METHYL-4-BENZYLPIPERAZINE-->Di-tert-butyl dicarbonate-->tert-Butyldimethylsilyl chloride-->n-Butyllithium-->Tetrahydrofuran |
| Preparation Products | FVQORRADVAYZAV-AWEZNQCLSA-N |
