CAS 952151-39-2

1,1-Dimethylethyl tetrahydro-1,2,5-oxadiazepine-2(3H)-carboxylate

Description:

1,1-Dimethylethyl tetrahydro-1,2,5-oxadiazepine-2(3H)-carboxylate, identified by its CAS number 952151-39-2, is a chemical compound characterized by its unique oxadiazepine structure, which incorporates a five-membered ring containing nitrogen and oxygen atoms. This compound features a carboxylate functional group, contributing to its potential reactivity and solubility in various solvents. The presence of the dimethyl group enhances its steric properties, which may influence its biological activity and interactions with other molecules. Typically, compounds of this nature are studied for their potential applications in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. The specific stereochemistry and substituents can significantly affect the compound's properties, including its melting point, boiling point, and solubility. As with many nitrogen-containing heterocycles, it may exhibit interesting pharmacological activities, making it a subject of interest in medicinal chemistry. However, detailed studies on its biological effects and practical applications would be necessary to fully understand its potential uses.

Formula: C₉H₁₈N₂O₃

InChI: InChI=1S/C9H18N2O3/c1-9(2,3)14-8(12)11-6-4-10-5-7-13-11/h10H,4-7H2,1-3H3

InChI key: InChIKey=RRKGAOLAOHJPBE-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1CCNCCO1

Synonyms:

• 1,1-Dimethylethyl tetrahydro-1,2,5-oxadiazepine-2(3H)-carboxylate
• 1,2,5-Oxadiazepine-2(3H)-carboxylic acid, tetrahydro-, 1,1-dimethylethyl ester
• 2,3,4,5,6,7-Hexahydro-1,2,5-oxadiazepine-2-carboxylic acid tert-butyl ester