Identification | Back Directory | [Name]
4-(3-AMINO-PHENYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER | [CAS]
387827-19-2 | [Synonyms]
tert-Butyl 4-(3-aminophenyl) 3-(1-Boc-4-piperidyl)aniline N-BOC-4-(3-AMINOPHENYL) PIPERIDINE TERT-BUTYL 4-(3-AMINOPHENYL)PIPERIDINE-1-CARBOXYLATE Tert-butyl 4-[3-(amino)phenyl]-1-Piperidinecarboxylate 4-(3-AMINO-PHENYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER 1-Piperidinecarboxylic acid, 4-(3-aMinophenyl)-, 1,1-diMethylethyl ester | [Molecular Formula]
C16H24N2O2 | [MDL Number]
MFCD03701248 | [MOL File]
387827-19-2.mol | [Molecular Weight]
276.37 |
Chemical Properties | Back Directory | [Boiling point ]
413.2±45.0 °C(Predicted) | [density ]
1.100±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [pka]
4.60±0.10(Predicted) | [Appearance]
White to off-white Solid |
Hazard Information | Back Directory | [Synthesis]
Tert-butyl 4-(3-aminophenyl)-5,6-dihydropyridine-1(2H)-carboxylate (3.10 g, 11.3 mmol) was used as a raw material and mixed with 10% Pd/C (1.00 g) in ethanol (100 mL). The reaction system was hydrogenated at room temperature for 2 days using the balloon method. After completion of the reaction, the mixture was filtered through diatomaceous earth and the filter cake was washed with ethanol. The ethanol extracts were combined and concentrated under reduced pressure. The residue was purified by silica gel column chromatography with the eluent dichloromethane:methanol:isopropylamine (95:5:1, v/v/v) to afford the target product tert-butyl 4-(3-aminophenyl)-piperidine-1-carboxylate (2.63 g, 84% yield). The product was characterized by 1H NMR (400 MHz, CDCl3): δ 7.10 (t, 1H, J = 7.6 Hz), 6.62 (d, 1H, J = 8.4 Hz), 6.60-6.59 (m, 2H), 4.27-4.18 (m, 2H), 3.62-3.58 (m, 2H), 2.80-2.72 (m, 2H), and 2.62-2.59 (m, 1H), 1.89-1.52 (m, 4H), 1.49 (s, 9H); ESMS m/e: 277.2 (M + H)+. | [References]
[1] Patent: US2004/38855, 2004, A1 [2] Patent: WO2004/5257, 2004, A1. Location in patent: Page 54 [3] Patent: US6727264, 2004, B1. Location in patent: Page column 56; 91 [4] Patent: US2005/154020, 2005, A1. Location in patent: Page/Page column 8 [5] Patent: US2005/154022, 2005, A1. Location in patent: Page/Page column 4; 9 |
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