CAS 1334414-49-1

1-(1,1-Dimethylethyl) hexahydro-5-(phenylmethyl)-1H-pyrrolo[3,2-c]pyridine-1,3a(7aH)-dicarboxylate

Description:

1-(1,1-Dimethylethyl) hexahydro-5-(phenylmethyl)-1H-pyrrolo[3,2-c]pyridine-1,3a(7aH)-dicarboxylate, with CAS number 1334414-49-1, is a complex organic compound characterized by its unique bicyclic structure that incorporates a pyrrolopyridine framework. This compound features multiple functional groups, including carboxylate esters, which contribute to its chemical reactivity and potential biological activity. The presence of a tert-butyl group (1,1-dimethylethyl) enhances its lipophilicity, potentially influencing its solubility and permeability in biological systems. The phenylmethyl substituent adds to the compound's structural diversity and may play a role in its interaction with biological targets. Due to its intricate structure, this compound may exhibit interesting pharmacological properties, making it a candidate for further research in medicinal chemistry. However, specific data regarding its physical properties, such as melting point, boiling point, and solubility, would require empirical investigation or literature references for comprehensive understanding.

Formula: C₂₀H₂₈N₂O₄

InChI: InChI=1S/C20H28N2O4/c1-19(2,3)26-18(25)22-12-10-20(17(23)24)14-21(11-9-16(20)22)13-15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3,(H,23,24)

InChI key: InChIKey=CQTGUIBSPRQJHV-UHFFFAOYSA-N

SMILES: C(O)(=O)C12C(N(C(OC(C)(C)C)=O)CC1)CCN(CC3=CC=CC=C3)C2

Synonyms:

• 1H-Pyrrolo[3,2-c]pyridine-1,3a(7aH)-dicarboxylic acid, hexahydro-5-(phenylmethyl)-, 1-(1,1-dimethylethyl) ester
• 1-(1,1-Dimethylethyl) hexahydro-5-(phenylmethyl)-1H-pyrrolo[3,2-c]pyridine-1,3a(7aH)-dicarboxylate