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CAS 126872-02-4

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(5R)-5-(1,1-Dimethylethyl)hexahydro-2H-azepin-2-one

Description:
(5R)-5-(1,1-Dimethylethyl)hexahydro-2H-azepin-2-one is a cyclic amide, specifically a derivative of azepine, characterized by a seven-membered ring containing one nitrogen atom. The presence of the tert-butyl group (1,1-dimethylethyl) at the 5-position contributes to its steric bulk, influencing its chemical reactivity and physical properties. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents due to its hydrophobic tert-butyl group. The stereochemistry at the 5-position, denoted as (5R), indicates a specific spatial arrangement of atoms, which can significantly affect the compound's biological activity and interactions with other molecules. As a member of the azepine family, it may participate in various chemical reactions, including nucleophilic substitutions and cyclization processes. Its unique structure makes it of interest in medicinal chemistry, particularly in the development of pharmaceuticals where azepine derivatives can serve as scaffolds for drug design.
Formula:C10H19NO
InChI:InChI=1S/C10H19NO/c1-10(2,3)8-4-5-9(12)11-7-6-8/h8H,4-7H2,1-3H3,(H,11,12)/t8-/m1/s1
InChI key:InChIKey=UUFLMKKCFXJHER-MRVPVSSYSA-N
SMILES:[C@](C)(C)(C)[C@@H]1CCC(=O)NCC1
Synonyms:
  • 2H-Azepin-2-one, 5-(1,1-dimethylethyl)hexahydro-, (5R)-
  • (5R)-5-(1,1-Dimethylethyl)hexahydro-2H-azepin-2-one
  • 2H-Azepin-2-one, 5-(1,1-dimethylethyl)hexahydro-, (R)-
  • (5R)-5-tert-Butylazepan-2-one
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