CAS 1135283-03-2

1,1-Dimethylethyl 2-(4-aminobenzoyl)hexahydro-1H-1,2-diazepine-1-carboxylate

Description:

1,1-Dimethylethyl 2-(4-aminobenzoyl)hexahydro-1H-1,2-diazepine-1-carboxylate, identified by its CAS number 1135283-03-2, is a chemical compound characterized by its complex structure that includes a diazepine ring, which is a seven-membered heterocyclic compound containing two nitrogen atoms. This substance features a carboxylate ester functional group, contributing to its potential reactivity and solubility properties. The presence of the 4-aminobenzoyl moiety suggests that it may exhibit biological activity, possibly interacting with specific receptors or enzymes. The dimethyl group attached to the ethyl group indicates steric hindrance, which can influence the compound's conformation and reactivity. Overall, this compound may be of interest in medicinal chemistry and pharmacology, particularly in the development of new therapeutic agents. However, detailed studies on its physical properties, such as solubility, melting point, and stability, as well as its biological activity, would be necessary to fully understand its potential applications.

Formula: C₁₇H₂₅N₃O₃

InChI: InChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)20-12-6-4-5-11-19(20)15(21)13-7-9-14(18)10-8-13/h7-10H,4-6,11-12,18H2,1-3H3

InChI key: InChIKey=PRZLFYZGKUTAKL-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1N(C(=O)C2=CC=C(N)C=C2)CCCCC1

Synonyms:

• 1,1-Dimethylethyl 2-(4-aminobenzoyl)hexahydro-1H-1,2-diazepine-1-carboxylate
• 1H-1,2-Diazepine-1-carboxylic acid, 2-(4-aminobenzoyl)hexahydro-, 1,1-dimethylethyl ester