| Identification | Back Directory | [Name]
BENZYL 4-(AMINOCARBONYL)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE | [CAS]
167757-45-1 | [Synonyms]
167757-45-1
BUTTPARK 75\50-02
N-Z-ISONIPECOTINAMIDE
1-Cbz-4-piperidinecarboxamide
1-N-CBZ-PIPERIDINE-4-CARBOXAMIDE
Benzyl 4-carbamoyl-1-piperidinecarboxylate
Benzyl 4-(aminocarbonyl)-1-pyridinecarboxylate
Benzyl 4-(aminocarbonyl)piperidine-1-carboxylate
4-CARBAMOYL-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER
BENZYL 4-(AMINOCARBONYL)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE
4-carbamoyl-2-piperidinecarboxylic acid (phenylmethyl) ester
1-Piperidinecarboxylic acid, 4-(aminocarbonyl)-, phenylmethyl ester | [Molecular Formula]
C14H18N2O3 | [MDL Number]
MFCD01568760 | [MOL File]
167757-45-1.mol | [Molecular Weight]
262.3 |
| Chemical Properties | Back Directory | [Melting point ]
130 °C | [Boiling point ]
475.5±44.0 °C(Predicted) | [density ]
1.224±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [pka]
16.40±0.20(Predicted) | [Appearance]
White to off-white Solid | [InChI]
InChI=1S/C14H18N2O3/c15-13(17)12-6-8-16(9-7-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,15,17) | [InChIKey]
UNJWOPBEKPMSGH-UHFFFAOYSA-N | [SMILES]
N1(C(OCC2=CC=CC=C2)=O)CCC(C(N)=O)CC1 |
| Hazard Information | Back Directory | [Synthesis]
Piperidine-4-carboxamide (5 g, 39 mmol) and benzyl chloroformate (5.54 mL, 39 mmol) were added dropwise to 1N NaOH solution (39 mL, 39 mmol) in a solvent mixture of water (30 mL) and acetone (40 mL), and the pH was maintained between 6 and 8 during the reaction. The reaction mixture was stirred at room temperature for 3 hours. Subsequently, the acetone was removed by evaporation, the resulting precipitate was collected by filtration and dried under reduced pressure at 70 °C to afford benzyl-4-carbamoylpiperidine-1-carboxylate 7.75 g in 76% yield. The product was analyzed by HPLC with a retention time (Rt) of 4.54 min. 1H NMR (600 MHz, DMSO-d6) δ ppm: 7.41-7.29 (m, 5H), 7.25 (br.s, 1H), 6.76 (br.s, 1H), 5.07 (s, 2H), 4.06-3.81 (m, J=13.2 Hz, 2H ), 2.92-2.72 (m, 2H), 2.27 (tt, J=3.7,11.5Hz, 1H), 1.75-1.64 (m, 2H), 1.40 (dq, J=4.3,12.4Hz, 2H). The high resolution mass spectrometry (HRMS) (ESI) [M+H]+ calculated value of C14H18O3N2 was 263.1390 and the measured value was 263.1390. | [References]
[1] Patent: US2013/324551, 2013, A1. Location in patent: Paragraph 0314; 0315; 0316; 0317
[2] Patent: US5607944, 1997, A |
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