Ethyl 4-(2-Oxo-4-Phenyl-2,3-Dihydro-1H-Imidazol-1-Yl)-1-Piperidinecarboxylate
[CAS# 228111-37-3]

Identification

• Name: Ethyl 4-(2-Oxo-4-Phenyl-2,3-Dihydro-1H-Imidazol-1-Yl)-1-Piperidinecarboxylate
• Synonyms: 1-(1-Ethoxycarbonyl-4-piperidinyl)-4-phenyl-4-imidazolin-2-one; 4-(2-Oxo-4-Phenyl-2,3-Dihydro-Imidazol-1-Yl)-Piperidine-1-Carboxylic Acid Ethyl Ester; ethyl 4-(2-oxo-4-phenyl-4-imidazolinyl)piperidinecarboxylate
• Molecular Formula: C₁₇H₂₁N₃O₃
• Molecular Weight: 315.37
• CAS Registry Number: 228111-37-3
• SMILES: CCOC(=O)N1CCC(CC1)N2C=C(NC2=O)C3=CC=CC=C3
• InChI: 1S/C17H21N3O3/c1-2-23-17(22)19-10-8-14(9-11-19)20-12-15(18-16(20)21)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,18,21)
• InChIKey: RPAJKOOCLQUVJE-UHFFFAOYSA-N

Properties

• Density: 1.186-1.306 (Expl.)
• Refractive index: 1.588 (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin

References

• (1): S. S. Golotvin, E. Vodopianov, R. Pol, B. A. Lefebvre, A. J. Williams, R. D. Rutkowske and T. D. Spitzer. Automated structure verification based on a combination of 1D 1H NMR and 2D 1H–13C HSQC spectra, Magn. Reson. Chem. 2007, 45, 803–813