2-Methyl-1-[2-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)Ethyl]-5-Phenyl-1H-Pyrrole-3-Carboxylic Acid
[CAS# 306936-27-6]

Identification

• Name: 2-Methyl-1-[2-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)Ethyl]-5-Phenyl-1H-Pyrrole-3-Carboxylic Acid
• Synonyms: 1-(2-Aminoethyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid, 1-BOC protected; 1-(N-tert-Butoxycarbonylaminoethyl)-2-methyl-5-phenylpyrrole-3-carboxylic acid; 1-{2-[(tert-Butoxycarbonyl)amino]ethyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid, tert-Butyl [2-(3-carboxy-2-methyl-5-phenyl-1H-pyrrol-1-yl)ethyl]carbamate
• Molecular Formula: C₁₉H₂₄N₂O₄
• Molecular Weight: 344.40
• CAS Registry Number: 306936-27-6
• SMILES: O=C(OC(C)(C)C)NCCn2c(c(cc2c1ccccc1)C(=O)O)C
• InChI: 1S/C19H24N2O4/c1-13-15(17(22)23)12-16(14-8-6-5-7-9-14)21(13)11-10-20-18(24)25-19(2,3)4/h5-9,12H,10-11H2,1-4H3,(H,20,24)(H,22,23)
• InChIKey: RUFAECVCTWTIRV-UHFFFAOYSA-N

Properties

• Density: 1.159g/cm³ (Cal.)
• Melting point: 135-137°C (Expl.)
• Boiling point: 536.007°C at 760 mmHg (Cal.)
• Flash point: 277.967°C (Cal.)
• Refractive index: 1.558 (Cal.)

Safety Data

• Safety Description: Corrosive