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CAS 1141669-63-7

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4-(Phenylmethyl) tetrahydro-1,4-oxazepine-2,4(5H)-dicarboxylate

Description:
4-(Phenylmethyl) tetrahydro-1,4-oxazepine-2,4(5H)-dicarboxylate is a chemical compound characterized by its unique oxazepine ring structure, which incorporates both nitrogen and oxygen atoms in a seven-membered cyclic framework. This compound features a phenylmethyl group, contributing to its aromatic properties and potentially influencing its reactivity and interactions. The presence of two carboxylate groups indicates that it can participate in various chemical reactions, including esterification and acid-base reactions. The tetrahydro configuration suggests that the compound is saturated, which may affect its stability and solubility in different solvents. Its molecular structure allows for potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the presence of functional groups that can engage in biological interactions. Additionally, the compound's specific stereochemistry and substituents may play a crucial role in determining its biological activity and pharmacokinetic properties. Overall, this compound represents a fascinating area of study within organic and medicinal chemistry.
Formula:C14H17NO5
InChI:InChI=1S/C14H17NO5/c16-13(17)12-9-15(7-4-8-19-12)14(18)20-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,17)
InChI key:InChIKey=AJQVXDQJBBKRTD-UHFFFAOYSA-N
SMILES:C(OCC1=CC=CC=C1)(=O)N2CC(C(O)=O)OCCC2
Synonyms:
  • 1,4-Oxazepine-2,4(5H)-dicarboxylic acid, tetrahydro-, 4-(phenylmethyl) ester
  • 4-(Phenylmethyl) tetrahydro-1,4-oxazepine-2,4(5H)-dicarboxylate
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