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CAS 1408076-13-0

:

1,1-Dimethylethyl 4-ethynylhexahydro-4-hydroxy-1H-azepine-1-carboxylate

Description:
1,1-Dimethylethyl 4-ethynylhexahydro-4-hydroxy-1H-azepine-1-carboxylate, identified by its CAS number 1408076-13-0, is a chemical compound that features a complex structure characterized by a hexahydroazepine ring, which is a seven-membered cyclic amine. The presence of a carboxylate group indicates that it can participate in various chemical reactions, potentially acting as an acid or a base depending on the conditions. The ethynyl group suggests that it may engage in alkyne chemistry, allowing for further functionalization. Additionally, the dimethyl group contributes to steric hindrance, which can influence the compound's reactivity and interactions with other molecules. This compound may exhibit interesting biological activities due to its unique structural features, making it a candidate for further research in medicinal chemistry or related fields. Its solubility, stability, and specific reactivity would depend on the solvent and environmental conditions, which are critical for practical applications in synthesis or biological studies.
Formula:C13H21NO3
InChI:InChI=1S/C13H21NO3/c1-5-13(16)7-6-9-14(10-8-13)11(15)17-12(2,3)4/h1,16H,6-10H2,2-4H3
InChI key:InChIKey=BAMZOOMIXOXMGB-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1CCC(C#C)(O)CCC1
Synonyms:
  • 1H-Azepine-1-carboxylic acid, 4-ethynylhexahydro-4-hydroxy-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 4-ethynylhexahydro-4-hydroxy-1H-azepine-1-carboxylate
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