2-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)-1,3-thiazole-4-carboxylic acid
[CAS# 668484-45-5]

Identification

• Name: 2-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)-1,3-thiazole-4-carboxylic acid
• Synonyms: 1-(tert-Butoxycarbonyl)-4-(4-carboxy-1,3-thiazol-2-yl)piperidine; 1-(tert-Butoxycarbonyl)-4-(4-carboxy-1,3-thiazol-2-yl)piperidine, 2-[1-(tert-Butoxycarbonyl)piperidin-4-yl]-4-carboxy-1,3-thiazole; 1-(tert-Butoxycarbonyl)-4-(4-carboxy-1,3-thiazol-2-yl)piperidine; 2-[1-(tert-Butoxycarbonyl)piperidin-4-yl]-4-carboxy-1,3-thiazole
• Molecular Formula: C₁₄H₂₀N₂O₄S
• Molecular Weight: 312.38
• CAS Registry Number: 668484-45-5
• SMILES: O=C(OC(C)(C)C)N2CCC(c1nc(cs1)C(=O)O)CC2
• InChI: 1S/C14H20N2O4S/c1-14(2,3)20-13(19)16-6-4-9(5-7-16)11-15-10(8-21-11)12(17)18/h8-9H,4-7H2,1-3H3,(H,17,18)
• InChIKey: KIRRXZPLONWSFO-UHFFFAOYSA-N

Properties

• Density: 1.28g/cm³ (Cal.)
• Melting point: 162-166°C (Expl.)
• Boiling point: 471.854°C at 760 mmHg (Cal.)
• Flash point: 239.169°C (Cal.)
• Refractive index: 1.563 (Cal.)

Safety Data

• Safety Description: Harmful/Irritant