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CAS 76944-95-1

:

tert-butyl [(3S)-2-oxoazepan-3-yl]carbamate

Description:
Tert-butyl [(3S)-2-oxoazepan-3-yl]carbamate, with the CAS number 76944-95-1, is a chemical compound that belongs to the class of carbamates. It features a tert-butyl group, which contributes to its hydrophobic characteristics, enhancing its solubility in organic solvents. The compound contains a 2-oxoazepane ring, indicating a cyclic structure with a ketone functional group, which can influence its reactivity and stability. The (3S) configuration denotes specific stereochemistry, which is crucial for its biological activity and interactions. Carbamates are known for their applications in pharmaceuticals and agrochemicals, often serving as intermediates or active ingredients. The presence of the tert-butyl group may also enhance the compound's lipophilicity, potentially affecting its pharmacokinetic properties. Overall, the characteristics of tert-butyl [(3S)-2-oxoazepan-3-yl]carbamate suggest it may have significant utility in medicinal chemistry, particularly in the development of drugs targeting specific biological pathways.
Formula:C11H20N2O3
InChI:InChI=1/C11H20N2O3/c1-11(2,3)16-10(15)13-8-6-4-5-7-12-9(8)14/h8H,4-7H2,1-3H3,(H,12,14)(H,13,15)/t8-/m0/s1
SMILES:CC(C)(C)OC(=N[C@H]1CCCCN=C1O)O
Synonyms:
  • Carbamic acid, N-[(3S)-hexahydro-2-oxo-1H-azepin-3-yl]-, 1,1-dimethylethyl ester
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