2-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-1,2,3,4-Tetrahydro-3-Isoquinolinecarboxylic Acid
[CAS# 11592-35-1]

Identification

• Name: 2-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-1,2,3,4-Tetrahydro-3-Isoquinolinecarboxylic Acid
• Synonyms: (R)-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid; (R,S)-2-tert-Butoxycarbonyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid; (RS)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, N-BOC protected
• Molecular Formula: C₁₅H₁₉NO₄
• Molecular Weight: 277.32
• CAS Registry Number: 11592-35-1
• SMILES: CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)O
• InChI: 1S/C15H19NO4/c1-15(2,3)20-14(19)16-9-11-7-5-4-6-10(11)8-12(16)13(17)18/h4-7,12H,8-9H2,1-3H3,(H,17,18)
• InChIKey: HFPVZPNLMJDJFB-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Melting point: 125-126°C (Expl.)
• Boiling point: 437.6±45.0°C at 760 mmHg (Cal.)
• Flash point: 218.5±28.7°C (Cal.)
• Refractive index: 1.556 (Cal.)

Safety Data

• Safety Description: Irritant