1-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-4-Phenyl-3-Piperidinecarboxylic Acid
[CAS# 221141-79-3]

Identification

• Name: 1-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-4-Phenyl-3-Piperidinecarboxylic Acid
• Synonyms: (3S,4R)-1-(tert-Butoxycarbonyl)-4-phenylpiperidine-3-carboxylic acid; 4-PHENYL-PIPERIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER; N-Boc-4-phenylnipecotic acid
• Molecular Formula: C₁₇H₂₃NO₄
• Molecular Weight: 305.37
• CAS Registry Number: 221141-79-3
• SMILES: OC(=O)C1CN(CCC1c2ccccc2)C(=O)OC(C)(C)C
• InChI: 1S/C17H23NO4/c1-17(2,3)22-16(21)18-10-9-13(14(11-18)15(19)20)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,20)
• InChIKey: UHRXHCZPUWORFZ-UHFFFAOYSA-N

Properties

• Density: 1.169g/cm³ (Cal.)
• Boiling point: 454.873°C at 760 mmHg (Cal.)
• Flash point: 228.899°C (Cal.)
• Refractive index: 1.54 (Cal.)