Methyl 1H-Indole-4-Carboxylate
[CAS 101277-72-9]

Identification

• Name: Methyl 1H-Indole-4-Carboxylate
• Synonyms: 1H-Indole-4-carboxylic acid methyl ester; 4-(Methoxycarbonyl)-1H-indole; 4-Indolecarboxylic Acid Methyl Ester
• Molecular Formula: C₁₀H₉NO₂
• Molecular Weight: 175.18
• CAS Registry Number: 101277-72-9
• SMILES: COC(=O)C1=C2C=CNC2=CC=C1
• InChI: 1S/C10H9NO2/c1-13-10(12)8-3-2-4-9-7(8)5-6-11-9/h2-6,11H,1H3
• InChIKey: WEAXQUBYRSEBJD-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Melting point: 68-71°C (Expl.)
• Boiling point: 331.7±15.0°C at 760 mmHg (Cal.)
• Flash point: 154.4±20.4°C (Cal.)
• Refractive index: 1.639 (Cal.)

Safety Data

• Safety Description: IRRITANT

References

• (1): Jason Siu, Ian R. Baxendale and Steven V. Ley. Microwave assisted Leimgruber–Batcho reaction for the preparation of indoles, azaindoles and pyrroylquinolines, Org. Biomol. Chem., 2004, 2, 160.