CAS 887922-92-1

4-Isocyanato-1-methyl-1H-indole

Description:

4-Isocyanato-1-methyl-1H-indole is an organic compound characterized by the presence of an isocyanate functional group attached to the indole structure. This compound features a methyl group at the 1-position of the indole ring and an isocyanate group at the 4-position, which contributes to its reactivity and potential applications in various chemical processes. The isocyanate group is known for its ability to react with nucleophiles, making this compound useful in the synthesis of polyurethanes and other polymers. Additionally, the indole moiety is a significant structural unit in many biologically active compounds, suggesting potential pharmaceutical applications. The compound is typically a solid at room temperature and may exhibit moderate to high toxicity, necessitating careful handling and appropriate safety measures during use. Its unique structure and reactivity profile make it a subject of interest in both synthetic organic chemistry and materials science.

Formula: C₁₀H₈N₂O

InChI: InChI=1S/C10H8N2O/c1-12-6-5-8-9(11-7-13)3-2-4-10(8)12/h2-6H,1H3

InChI key: InChIKey=TVGVHXVLMROUII-UHFFFAOYSA-N

SMILES: N(=C=O)C1=C2C(N(C)C=C2)=CC=C1

Synonyms:

• 4-Isocyanato-1-methyl-1H-indole
• 1H-Indole, 4-isocyanato-1-methyl-