[2-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1H-pyrrol-2-yl)phenyl]acetic acid
[CAS# 669714-00-5]

Identification

• Name: [2-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1H-pyrrol-2-yl)phenyl]acetic acid
• Synonyms: 2-(2-(1-(tert-butoxycarbonyl)-1h-pyrrol-2-yl)phenyl)acetic acid; 2-(2-Carboxymethyl-phenyl)-pyrrole-1-carboxylic acid tert-butyl ester; 2-(2'-N-Boc-Pyrrole)phenylacetic acid
• Molecular Formula: C₁₇H₁₉NO₄
• Molecular Weight: 301.34
• CAS Registry Number: 669714-00-5
• SMILES: O=C(O)Cc2ccccc2c1cccn1C(=O)OC(C)(C)C
• InChI: 1S/C17H19NO4/c1-17(2,3)22-16(21)18-10-6-9-14(18)13-8-5-4-7-12(13)11-15(19)20/h4-10H,11H2,1-3H3,(H,19,20)
• InChIKey: PGDVUHUKXRRXFH-UHFFFAOYSA-N

Properties

• Density: 1.154g/cm³ (Cal.)
• Boiling point: 480.155°C at 760 mmHg (Cal.)
• Flash point: 244.189°C (Cal.)
• Refractive index: 1.554 (Cal.)