CAS 1005150-92-4

2-[[4-(Dimethylamino)phenyl]methyl]-1,2,3,6,7,7a-hexahydro-1-oxo-3a,6-epoxy-3aH-isoindole-7-carboxylic acid

Description:

The chemical substance known as 2-[[4-(Dimethylamino)phenyl]methyl]-1,2,3,6,7,7a-hexahydro-1-oxo-3a,6-epoxy-3aH-isoindole-7-carboxylic acid, with the CAS number 1005150-92-4, is a complex organic compound characterized by its multi-cyclic structure and the presence of various functional groups. It features a dimethylamino group, which is known for its basicity and potential to engage in hydrogen bonding, enhancing its solubility in polar solvents. The isoindole framework contributes to its stability and reactivity, while the carboxylic acid moiety suggests acidic properties, allowing for potential interactions in biological systems. The epoxy group indicates the presence of a three-membered cyclic ether, which can participate in nucleophilic reactions. Overall, this compound's unique structural features may confer specific pharmacological properties, making it of interest in medicinal chemistry and drug development. Its synthesis and characterization would typically involve advanced organic chemistry techniques to elucidate its properties and potential applications.

Formula: C₁₈H₂₀N₂O₄

InChI: InChI=1S/C18H20N2O4/c1-19(2)12-5-3-11(4-6-12)9-20-10-18-8-7-13(24-18)14(17(22)23)15(18)16(20)21/h3-8,13-15H,9-10H2,1-2H3,(H,22,23)

InChI key: InChIKey=WBLRWQFVVHCCLM-UHFFFAOYSA-N

SMILES: C(O)(=O)C1C2C3(OC1C=C3)CN(CC4=CC=C(N(C)C)C=C4)C2=O

Synonyms:

• 2-[[4-(Dimethylamino)phenyl]methyl]-1,2,3,6,7,7a-hexahydro-1-oxo-3a,6-epoxy-3aH-isoindole-7-carboxylic acid
• 3a,6-Epoxy-3aH-isoindole-7-carboxylic acid, 2-[[4-(dimethylamino)phenyl]methyl]-1,2,3,6,7,7a-hexahydro-1-oxo-