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| | 4-Acetyl-piperidine-1-carboxylic acid tert-butyl ester Basic information | | Appearance |
| Product Name: | 4-Acetyl-piperidine-1-carboxylic acid tert-butyl ester | | Synonyms: | 4-ACETYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;1-N-Boc-4-Acetylpiperidine;N-Boc-4-acetylpiperidine;1-tert-Butoxycarbonyl-4-acetylpiperidine;1-Piperidinecarboxylic acid, 4-acetyl-, 1,1-dimethylethyl ester;1-BOC-4-ACETYL-PIPERIDINE;N-Boc-4-Acetypiperidine;1-BOC-ESTER4-ACETYL-PIPERIDINE | | CAS: | 206989-61-9 | | MF: | C12H21NO3 | | MW: | 227.3 | | EINECS: | | | Product Categories: | | | Mol File: | 206989-61-9.mol |  |
| | 4-Acetyl-piperidine-1-carboxylic acid tert-butyl ester Chemical Properties |
| Boiling point | 312.4±35.0 °C(Predicted) | | density | 1.052±0.06 g/cm3(Predicted) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | pka | -2.23±0.40(Predicted) | | form | solid | | Appearance | Colorless to off-white Liquid | | InChI | InChI=1S/C12H21NO3/c1-9(14)10-5-7-13(8-6-10)11(15)16-12(2,3)4/h10H,5-8H2,1-4H3 | | InChIKey | HNVBBNZWMSTMAZ-UHFFFAOYSA-N | | SMILES | N1(C(OC(C)(C)C)=O)CCC(C(C)=O)CC1 |
| Hazard Codes | T | | Risk Statements | 25 | | Safety Statements | 45 | | RIDADR | UN 2811 6.1 / PGIII | | HazardClass | IRRITANT | | HS Code | 2933399990 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 3 Oral |
| | 4-Acetyl-piperidine-1-carboxylic acid tert-butyl ester Usage And Synthesis |
| Appearance | Light yellow oil | | Uses | tert-Butyl 4-Acetylpiperidine-1-carboxylate is a useful research chemical. | | Synthesis | Tert-butyl-4-(methoxy(methyl)carbamoyl)piperidine-1-carboxylate (2.29 g, 8.32 mmol) was dissolved in 30 ml of tetrahydrofuran (THF), and the resulting solution was cooled to -78 °C. To the solution, methylmagnesium bromide (3.0 M) (7.73 ml, 10.82 mmol) was slowly added, and the solution was stirred at 0 °C for 1 hr. After the reaction was completed with a 2 N hydrochloric acid aqueous solution, 6 N sodium hydroxide solution was added to adjust the pH to 10. Then the solution was extracted with dichloromethane. The organic layer was treated with magnesium sulfate (MgSO4) and filtered, and the solution was concentrated. The resulting residue was isolated and purified by silica gel column chromatography (dichloromethane/methanol = 10/1) to give 4-Acetyl-piperidine-1-carboxylic acid tert-butyl ester (6.36 g, 94.0 percent).
| | References | [1] Bioorganic and Medicinal Chemistry Letters, 2004, vol. 14, # 4, p. 935 - 939
[2] Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 5, p. 1299 - 1305
[3] Patent: EP3255042, 2017, A2. Location in patent: Paragraph 0209; 0212
[4] Patent: WO2008/17461, 2008, A1. Location in patent: Page/Page column 62
[5] Patent: WO2008/42925, 2008, A1. Location in patent: Page/Page column 96 |
| | 4-Acetyl-piperidine-1-carboxylic acid tert-butyl ester Preparation Products And Raw materials |
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