CAS 860651-34-9

Methyl 1-(3-chloro-2,2-dimethyl-1-oxopropyl)-3-iodo-1H-indole-2-carboxylate

Description:

Methyl 1-(3-chloro-2,2-dimethyl-1-oxopropyl)-3-iodo-1H-indole-2-carboxylate is a synthetic organic compound characterized by its complex structure, which includes an indole moiety, a carboxylate group, and halogen substituents. The presence of the methyl ester functional group indicates that it can undergo hydrolysis to yield the corresponding carboxylic acid. The compound features a chloro and an iodo substituent, which can influence its reactivity and potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. The indole structure is known for its biological activity, often serving as a scaffold in drug design. Additionally, the presence of the dimethyl group contributes to steric hindrance, which may affect the compound's interaction with biological targets. Overall, this compound's unique combination of functional groups and structural features makes it of interest for further research in organic synthesis and pharmacology.

Formula: C₁₅H₁₅ClINO₃

InChI: InChI=1S/C15H15ClINO3/c1-15(2,8-16)14(20)18-10-7-5-4-6-9(10)11(17)12(18)13(19)21-3/h4-7H,8H2,1-3H3

InChI key: InChIKey=DKDGIKIRLCQMPM-UHFFFAOYSA-N

SMILES: C(C(CCl)(C)C)(=O)N1C=2C(C(I)=C1C(OC)=O)=CC=CC2

Synonyms:

• Methyl 1-(3-chloro-2,2-dimethyl-1-oxopropyl)-3-iodo-1H-indole-2-carboxylate
• 1H-Indole-2-carboxylic acid, 1-(3-chloro-2,2-dimethyl-1-oxopropyl)-3-iodo-, methyl ester