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| | 1-Piperidinecarboxylicacid,2-methyl-4-oxo-,1,1-dimethylethylester,(2R)-(9CI) Basic information |
| Product Name: | 1-Piperidinecarboxylicacid,2-methyl-4-oxo-,1,1-dimethylethylester,(2R)-(9CI) | | Synonyms: | 1-Piperidinecarboxylicacid,2-methyl-4-oxo-,1,1-dimethylethylester,(2R)-(9CI);(2R)-2-Methyl-4-oxo-piper...;(2R)-2-Methyl-4-oxo-piperidine-1-carboxylic acid tert-butyl ester;1-N-boc-2(R)-Methyl-piperidin-4-one;tert-butyl (2R)-2-methyl-4-oxopiperidine-1-carboxylate;1-Piperidinecarboxylic acid, 2-methyl-4-oxo-, 1,1-dimethylethyl ester, (2R)-;(R)-2-Methyl-4-oxopiperidine-1-carboxylic acid tert-butyl ester;(R)-tert-Butyl 2-methyl-4-oxopiperidine-1 | | CAS: | 790667-43-5 | | MF: | C11H19NO3 | | MW: | 213.27 | | EINECS: | 810-481-6 | | Product Categories: | METHYL | | Mol File: | 790667-43-5.mol |  |
| | 1-Piperidinecarboxylicacid,2-methyl-4-oxo-,1,1-dimethylethylester,(2R)-(9CI) Chemical Properties |
| Melting point | 57.7 °C | | Boiling point | 298.8±33.0 °C(Predicted) | | density | 1.060±0.06 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | pka | -1.52±0.40(Predicted) | | Appearance | White to off-white Solid | | InChI | InChI=1S/C11H19NO3/c1-8-7-9(13)5-6-12(8)10(14)15-11(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1 | | InChIKey | HQMYWQCBINPHBB-MRVPVSSYSA-N | | SMILES | N1(C(OC(C)(C)C)=O)CCC(=O)C[C@H]1C |
| | 1-Piperidinecarboxylicacid,2-methyl-4-oxo-,1,1-dimethylethylester,(2R)-(9CI) Usage And Synthesis |
| Synthesis | Tert-butyl (R)-2-methyl-4-oxopiperidine-1-carboxylate and 1-N-Boc-2(S)-methyl-piperidin-4-one were synthesized by chiral chromatographic separation using 1-Boc-2-methyl-piperidone as starting material. The procedure was as follows: using a CHIRALPAK ADTM column (size: 4.6×250 mm) with anhydrous ethanol as the mobile phase, the flow rate was set at 1.0 mL/min, and the elution was carried out at the UV detection wavelength of 220 nm. The racemic tert-butyl 2-methyl-4-oxopiperidine-1-carboxylate (15.0 g) was separated to finally obtain isomer 1 ((R)-tert-butyl 2-methyl-4-oxopiperidine-1-carboxylate, 5.28 g, 35% yield) and isomer 2 (1-N-Boc-2(S)-methyl-piperidin-4-one, 5.01 g, 33% yield). The 1H NMR (CDCl3) data of the two isomers were in agreement as follows: δ 4.7 (m, 1H), 4.2 (m, 1H), 3.3 (m, 1H), 2.7 (m, 1H), 2.5 (m, 1H), 2.3 (m, 1H), 2.2 (m, 1H), 1.5 (s, 9H), 1.2 (d, 3H). | | References | [1] Patent: WO2004/94380, 2004, A1. Location in patent: Page 26-27 |
| | 1-Piperidinecarboxylicacid,2-methyl-4-oxo-,1,1-dimethylethylester,(2R)-(9CI) Preparation Products And Raw materials |
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