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| | 1-Boc-4-methanesulfonyloxypiperidine Basic information |
| Product Name: | 1-Boc-4-methanesulfonyloxypiperidine | | Synonyms: | N-(TERT-BUTOXYCARBONYL)PIPERIDIN-4-YL MESYLATE;1-(tert-butoxycarbonyl)piperidin-4-yl methanesulfonate;1-Boc-methanesulfonyl-piperdine;4-[(Methylsulphonyl)oxy]piperidine, N-BOC protected;tert-Butyl 4-[(methylsulphonyl)oxy]piperidine-1-carboxylate;1-Piperidinecarboxylicacid,4-[(Methylsulfonyl)oxy]-,1,1-diMethylethylester;4-Methanesulfonyloxypiperidin-1-carboxylic acid tert-butyl ester;N-BOC-4-(methanesulfonyloxy)piperidine | | CAS: | 141699-59-4 | | MF: | C11H21NO5S | | MW: | 279.35 | | EINECS: | 619-988-5 | | Product Categories: | pharmacetical | | Mol File: | 141699-59-4.mol |  |
| | 1-Boc-4-methanesulfonyloxypiperidine Chemical Properties |
| Melting point | 193-195 °C | | Boiling point | 407.2±34.0 °C(Predicted) | | density | 1.22±0.1 g/cm3(Predicted) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | form | powder to crystal | | pka | -3.02±0.40(Predicted) | | color | White to Almost white | | InChI | InChI=1S/C11H21NO5S/c1-11(2,3)16-10(13)12-7-5-9(6-8-12)17-18(4,14)15/h9H,5-8H2,1-4H3 | | InChIKey | WOEQSXAIPTXOPY-UHFFFAOYSA-N | | SMILES | N1(C(OC(C)(C)C)=O)CCC(OS(C)(=O)=O)CC1 | | CAS DataBase Reference | 141699-59-4(CAS DataBase Reference) |
| Hazard Codes | T | | Risk Statements | 25-20/21/22 | | Safety Statements | 45-24/25-23 | | RIDADR | 2811 | | WGK Germany | WGK 3 | | HazardClass | 6.1 | | PackingGroup | Ⅲ | | HS Code | 29333990 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 3 Oral |
| | 1-Boc-4-methanesulfonyloxypiperidine Usage And Synthesis |
| Chemical Properties | White powder | | Uses | 4-Methanesulfonyloxy-piperidine-1-carboxylic Acid tert-Butyl Ester is a useful research chemical used in the preparation of (aminoaryl)(benzyloxy)pyridines as potential antitumor agents. | | Synthesis | N-Boc-4-hydroxypiperidine (10 g, 49.68 mmol, 1 eq.) and triethylamine (7.54 g, 74.50 mmol, 1.5 eq., 10.38 ml) were dissolved in anhydrous dichloromethane (200 ml) and cooled to 0-5 °C. Methylsulfonyl chloride (6.88 g, 60.12 mmol, 4.65 ml, 1.21 eq.) was added slowly and dropwise under stirring. The reaction mixture was stirred at 0-5 °C for 3 hours. After completion of the reaction, the mixture was diluted with dichloromethane (200 ml), transferred to a separatory funnel and washed sequentially with 2M aqueous sodium carbonate solution (200 ml) and saturated sodium chloride solution (200 ml). The organic layer was dried with anhydrous magnesium sulfate, filtered and concentrated under reduced pressure to give 14.51 g of tert-butyl 4-((methylsulfonyl)oxy)piperidine-1-carboxylate as a white solid (yield = 100%). The product was confirmed by 1H-NMR (400 MHz, DMSO-d6) and mass spectrometry (EI): δ 4.80 (m, 1H), 3.39 (m, 2H), 3.29 (m, 2H), 2.94 (s, 3H), 1.77 (m, 2H), 1.52 (m, 2H); MS (EI): 280 (MH+). | | References | [1] Patent: WO2008/42282, 2008, A2. Location in patent: Page/Page column 174-175
[2] Patent: WO2010/138490, 2010, A1. Location in patent: Page/Page column 28
[3] Patent: WO2010/138487, 2010, A1. Location in patent: Page/Page column 122
[4] Patent: US2011/152243, 2011, A1. Location in patent: Page/Page column 96
[5] Journal of Medicinal Chemistry, 2011, vol. 54, # 12, p. 4092 - 4108 |
| | 1-Boc-4-methanesulfonyloxypiperidine Preparation Products And Raw materials |
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