|
|
| | N-Boc-9-azabicyclo[3.3.1]nonan-3-one Basic information |
| Product Name: | N-Boc-9-azabicyclo[3.3.1]nonan-3-one | | Synonyms: | N-Boc-9-azabicyclo[3.3.1]nonan-3-one;3-Oxo-9-aza-bicyclo[3.3.1]nonane-9-carboxylic acid tert-butyl ester;9-Boc-3-oxo-9-azabicyclo[...;9-Boc-3-oxo-9-azabicyclo[3.3.1]nonane;9-Boc-9-aza-bicyclo[3.3.1]nonan-3-one;3-Oxo-9-aza-bicyclo3.3.1none-9-carboxylic acid tert-butyl ester;tert-butyl 3-oxo-9-azabicyclo[3.3.1]nane-9-carboxylate;N-Boc-9-azabicycL | | CAS: | 512822-27-4 | | MF: | C13H21NO3 | | MW: | 239.31 | | EINECS: | | | Product Categories: | Amines and Anilines;Carbonyl Compounds | | Mol File: | 512822-27-4.mol | ![N-Boc-9-azabicyclo[3.3.1]nonan-3-one Structure](CAS/GIF/512822-27-4.gif) |
| | N-Boc-9-azabicyclo[3.3.1]nonan-3-one Chemical Properties |
| Boiling point | 342.9±35.0 °C(Predicted) | | density | 1+-.0.06 g/cm3(Predicted) | | storage temp. | 2-8°C | | pka | -1.65±0.20(Predicted) | | form | solid | | color | white | | InChI | InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-9-5-4-6-10(14)8-11(15)7-9/h9-10H,4-8H2,1-3H3 | | InChIKey | YEKYAQUJESJBFI-UHFFFAOYSA-N | | SMILES | C12N(C(OC(C)(C)C)=O)C(CCC1)CC(=O)C2 |
| | N-Boc-9-azabicyclo[3.3.1]nonan-3-one Usage And Synthesis |
| Synthesis | General procedure for the synthesis of N-Boc-9-azabicyclo[3.3.1]nonan-3-one hydrochloride from di-tert-butyl dicarbonate and 9-azabicyclo[3.3.1]nonan-3-one hydrochloride: 9-azabicyclo[3.3.1]nonan-3-one hydrochloride (12.0 g, 68.3 mmol) was suspended in tetrahydrofuran (THF, 200 mL) followed by addition of methylamine (27.6 g, 273 mmol). Di-tert-butyl dicarbonate (15.6 g, 71.7 mmol) dissolved in THF (50 mL) was added slowly and dropwise over 15 min at 15 °C. The reaction mixture was stirred at room temperature for 1 hour. Upon completion of the reaction, water was added and extracted with diethyl ether (200 mL). The organic phase was washed with water (2 x 100 mL) and subsequently purified by filtration through a short silica gel column. The final product N-Boc-9-azabicyclo[3.3.1]nonan-3-one was obtained in a yield of 15.24 g (93% yield). | | References | [1] Patent: WO2009/98209, 2009, A1. Location in patent: Page/Page column 16 |
| | N-Boc-9-azabicyclo[3.3.1]nonan-3-one Preparation Products And Raw materials |
|