2-Methyl-2-Propanyl 2-Chloro-3-(3-Ethoxy-3-Oxopropanoyl)-1H-Indole-1-Carboxylate
[CAS# 180922-72-9]

Identification

• Name: 2-Methyl-2-Propanyl 2-Chloro-3-(3-Ethoxy-3-Oxopropanoyl)-1H-Indole-1-Carboxylate
• Synonyms: 1-Boc-2-Chloro-3-(2-ethoxycarbonyl-acetyl)-indole; 2-Chloro-3-(2-ethoxycarbonyl-acetyl)-indole-1-carboxylic acid tert-butyl ester
• Molecular Formula: C₁₈H₂₀ClNO₅
• Molecular Weight: 365.81
• CAS Registry Number: 180922-72-9
• SMILES: CCOC(=O)CC(=O)c1c2ccccc2n(c1Cl)C(=O)OC(C)(C)C
• InChI: 1S/C18H20ClNO5/c1-5-24-14(22)10-13(21)15-11-8-6-7-9-12(11)20(16(15)19)17(23)25-18(2,3)4/h6-9H,5,10H2,1-4H3
• InChIKey: LRFOYJNIBQACFJ-UHFFFAOYSA-N

Properties

• Density: 1.252g/cm³ (Cal.)
• Boiling point: 453.524°C at 760 mmHg (Cal.)
• Flash point: 228.083°C (Cal.)
• Refractive index: 1.557 (Cal.)