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| | 4-Bromomethypiperidine-1-carboxylic acid tert-butyl ester Basic information |
| Product Name: | 4-Bromomethypiperidine-1-carboxylic acid tert-butyl ester | | Synonyms: | 4-BROMOMETHYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;1-N-BOC-4-BROMOMETHYLPIPERIDINE;1-BOC-4-BROMOMETHYLPIPERIDINE;4-Bromomethyl-piperidine-1-carboxylic acid tert-butyk ester;N-BOC-4-BROMOMETHYL-PIPERIDINE;1-Boc-4-BromomethyL;4-Bromomethyl-1-(tert-butoxycarbonyl)piperidine;1-Piperidinecarboxylic acid, 4-(bromomethyl)-, 1,1-dimethylethyl ester | | CAS: | 158407-04-6 | | MF: | C11H20BrNO2 | | MW: | 278.19 | | EINECS: | | | Product Categories: | pharmacetical | | Mol File: | 158407-04-6.mol |  |
| | 4-Bromomethypiperidine-1-carboxylic acid tert-butyl ester Chemical Properties |
| Boiling point | 318.3±15.0 °C(Predicted) | | density | 1.270±0.06 g/cm3(Predicted) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | pka | -1.91±0.40(Predicted) | | form | solid | | Appearance | White to off-white Solid | | InChI | InChI=1S/C11H20BrNO2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h9H,4-8H2,1-3H3 | | InChIKey | YGJXBTRLYHCWGD-UHFFFAOYSA-N | | SMILES | N1(C(OC(C)(C)C)=O)CCC(CBr)CC1 |
| Risk Statements | 36/37/38-36 | | Safety Statements | 26-36/37/39 | | WGK Germany | 3 | | HS Code | 2933399990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Eye Irrit. 2 |
| | 4-Bromomethypiperidine-1-carboxylic acid tert-butyl ester Usage And Synthesis |
| Uses | 4-Bromomethypiperidine-1-carboxylic acid tert-butyl ester can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly in laboratory research and development process and chemical production process. | | Synthesis | 
4-Bromomethypiperidine-1-carboxylic acid tert-butyl ester. 4-N-Boc-piperidine-methanol (200 mg, 0.93 mmol) was dissolved in diethyl ether (9 mL) and carbon tetrabromide (370 mg, 1.1 mmol) and PPh3 (292 mg, 1.1 mmol) were added at rt. The reaction was allowed to stir for 18 h at rt and filtered over a pad of celite. The filtrate was concentrated and purified by flash chromatography (hexane/EtOAc, 1:0 ?ú 4:1) to give the title compound. Yield 55 mg. 1 (400 MHz, DMSO-d6) |? ppm 4.02-3.98 (m, 2 H), 3.47 (d, 2 H), 2.78-2.65 (m, 2 H), 1.89-1.74 (m, 3 H), 1.45 (s, 9 H), 1.12-0.98 (m, 2 H). | | References | [1] Patent: WO2016/75661, 2016, A1. Location in patent: Page/Page column 30
[2] Patent: WO2006/50506, 2006, A1. Location in patent: Page/Page column 120-121
[3] RSC Advances, 2016, vol. 6, # 52, p. 46170 - 46185
[4] Patent: WO2017/27684, 2017, A1. Location in patent: Paragraph 00266
[5] Bioorganic and Medicinal Chemistry Letters, 1999, vol. 9, # 17, p. 2615 - 2620 |
| | 4-Bromomethypiperidine-1-carboxylic acid tert-butyl ester Preparation Products And Raw materials |
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