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CAS 123387-52-0

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tert-Butyl azepane-1-carboxylate

Description:
Tert-Butyl azepane-1-carboxylate is an organic compound characterized by its azepane ring structure, which is a seven-membered saturated cyclic amine. The presence of a tert-butyl group enhances its steric bulk and hydrophobicity, while the carboxylate functional group contributes to its reactivity and solubility properties. This compound typically exhibits moderate polarity due to the carboxylate moiety, making it soluble in various organic solvents. It is often used in organic synthesis and as an intermediate in the production of pharmaceuticals and agrochemicals. The azepane ring can participate in various chemical reactions, such as nucleophilic substitutions and cyclizations, making it a versatile building block in synthetic chemistry. Additionally, the compound's stability and reactivity can be influenced by the steric and electronic effects of the tert-butyl group, which can affect its interactions in biological systems and its potential applications in medicinal chemistry. Overall, tert-Butyl azepane-1-carboxylate is a valuable compound in the field of organic synthesis and medicinal chemistry.
Formula:C11H21NO2
InChI:InChI=1S/C11H21NO2/c1-11(2,3)14-10(13)12-8-6-4-5-7-9-12/h4-9H2,1-3H3
InChI key:InChIKey=QZBSPLNCSRGMBA-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1CCCCCC1
Synonyms:
  • 1-(tert-Butoxycarbonyl)-hexahydroazepine
  • 1H-Azepine-1-carboxylic acid, hexahydro-, 1,1-dimethylethyl ester
  • tert-Butyl azepan-1-carboxylate
  • tert-Butyl azepane-1-carboxylate
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