CAS 1341037-28-2

7-(1,1-Dimethylethyl) 3-ethyl 5,6,8,9-tetrahydro-7H-imidazo[1,2-d][1,4]diazepine-3,7-dicarboxylate

Description:

The chemical substance known as 7-(1,1-Dimethylethyl) 3-ethyl 5,6,8,9-tetrahydro-7H-imidazo[1,2-d][1,4]diazepine-3,7-dicarboxylate, with the CAS number 1341037-28-2, is a complex organic compound characterized by its unique bicyclic structure that incorporates both imidazole and diazepine rings. This compound features multiple functional groups, including carboxylate moieties, which contribute to its potential reactivity and solubility properties. The presence of the tert-butyl and ethyl substituents suggests that it may exhibit hydrophobic characteristics, influencing its interaction with biological systems. The tetrahydro configuration indicates that the compound is saturated in certain positions, which may affect its stability and conformational flexibility. Such structural features could be relevant in medicinal chemistry, particularly in the development of pharmaceuticals, as they may influence the compound's biological activity, binding affinity, and pharmacokinetics. Overall, this compound represents a class of heterocyclic compounds that may have applications in various fields, including drug discovery and development.

Formula: C₁₅H₂₃N₃O₄

InChI: InChI=1S/C15H23N3O4/c1-5-21-13(19)11-10-16-12-6-7-17(8-9-18(11)12)14(20)22-15(2,3)4/h10H,5-9H2,1-4H3

InChI key: InChIKey=NNBCUGSHQIGJSO-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C=1N2C(=NC1)CCN(C(OC(C)(C)C)=O)CC2

Synonyms:

• 7-(1,1-Dimethylethyl) 3-ethyl 5,6,8,9-tetrahydro-7H-imidazo[1,2-d][1,4]diazepine-3,7-dicarboxylate
• 7H-Imidazo[1,2-d][1,4]diazepine-3,7-dicarboxylic acid, 5,6,8,9-tetrahydro-, 7-(1,1-dimethylethyl) 3-ethyl ester