CAS 103858-54-4

Ethyl 5-bromo-1H-indole-3-carboxylate

Description:

Ethyl 5-bromo-1H-indole-3-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. This compound features a bromine atom at the 5-position of the indole ring and an ethyl ester functional group at the 3-position, contributing to its reactivity and solubility properties. It is typically a solid at room temperature and may exhibit moderate to high stability under standard conditions. Ethyl 5-bromo-1H-indole-3-carboxylate is of interest in organic synthesis and medicinal chemistry, often serving as an intermediate in the preparation of various bioactive compounds. Its bromine substituent can participate in nucleophilic substitution reactions, making it a versatile building block in the synthesis of more complex molecules. Additionally, the compound may exhibit biological activity, although specific pharmacological properties would require further investigation. Proper handling and storage are essential due to potential hazards associated with brominated compounds.

Formula: C₁₁H₁₀BrNO₂

InChI: InChI=1S/C11H10BrNO2/c1-2-15-11(14)9-6-13-10-4-3-7(12)5-8(9)10/h3-6,13H,2H2,1H3

InChI key: InChIKey=ADKGKNXUVQJLHW-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C=1C=2C(NC1)=CC=C(Br)C2

Synonyms:

• 1H-Indole-3-carboxylic acid, 5-bromo-, ethyl ester
• 5-Bromo-1H-indole-3-carboxylic acid ethyl ester
• Indole-3-carboxylic acid, 5-bromo-, ethyl ester
• Ethyl 5-bromo-1H-indole-3-carboxylate