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CAS 473836-98-5

:

1,1-Dimethylethyl hexahydro-4-(2-hydroxyethyl)-1H-azepine-1-carboxylate

Description:
1,1-Dimethylethyl hexahydro-4-(2-hydroxyethyl)-1H-azepine-1-carboxylate, identified by its CAS number 473836-98-5, is a chemical compound characterized by its unique structure, which includes a hexahydroazepine ring and a carboxylate functional group. This compound features a tert-butyl group (1,1-dimethylethyl) that contributes to its steric bulk, potentially influencing its reactivity and interactions. The presence of a hydroxyethyl substituent suggests that it may exhibit hydrophilic properties, which can affect its solubility in various solvents. The azepine ring structure indicates that it may participate in various chemical reactions typical of cyclic amines, such as nucleophilic substitutions or ring-opening reactions under certain conditions. Additionally, the carboxylate group may impart acidic characteristics, allowing for potential interactions with bases or metal ions. Overall, this compound's structural features suggest it could have applications in pharmaceuticals or as a building block in organic synthesis, although specific applications would depend on further research into its biological activity and reactivity.
Formula:C13H25NO3
InChI:InChI=1S/C13H25NO3/c1-13(2,3)17-12(16)14-8-4-5-11(6-9-14)7-10-15/h11,15H,4-10H2,1-3H3
InChI key:InChIKey=PRBKOJFHUGVGDZ-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1CCC(CCO)CCC1
Synonyms:
  • 1,1-Dimethylethyl hexahydro-4-(2-hydroxyethyl)-1H-azepine-1-carboxylate
  • 1H-Azepine-1-carboxylic acid, hexahydro-4-(2-hydroxyethyl)-, 1,1-dimethylethyl ester
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