CAS 1082040-42-3

Methyl 6-nitro-1H-indole-4-carboxylate

Description:

Methyl 6-nitro-1H-indole-4-carboxylate is a chemical compound characterized by its indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. The presence of a nitro group at the 6-position and a carboxylate ester at the 4-position contributes to its reactivity and potential applications in organic synthesis and medicinal chemistry. This compound is typically a yellow to orange solid, indicating the presence of the nitro group, which can influence its electronic properties and solubility. Methyl 6-nitro-1H-indole-4-carboxylate may exhibit biological activity, making it of interest in pharmaceutical research. Its synthesis often involves multi-step organic reactions, and it can serve as a precursor for various derivatives. The compound's stability, solubility, and reactivity can vary depending on the conditions and solvents used, which is crucial for its application in further chemical transformations or biological assays. Safety precautions should be observed when handling this compound due to the presence of the nitro group, which can be hazardous.

Formula: C₁₀H₈N₂O₄

InChI: InChI=1S/C10H8N2O4/c1-16-10(13)8-4-6(12(14)15)5-9-7(8)2-3-11-9/h2-5,11H,1H3

InChI key: InChIKey=PGBLJFAKGKGOCX-UHFFFAOYSA-N

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

Synonyms:

• Methyl 6-nitro-1H-indole-4-carboxylate
• 1H-Indole-4-carboxylic acid, 6-nitro-, methyl ester