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CAS 1363166-21-5

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

Description:
4-(1,1-Dimethylethyl) 2-ethyl tetrahydro-1,4-oxazepine-2,4(5H)-dicarboxylate is a chemical compound characterized by its unique structure, which includes a tetrahydro-1,4-oxazepine ring and two carboxylate functional groups. This compound features a branched alkyl substituent, specifically a tert-butyl group, which contributes to its steric properties and potential hydrophobic interactions. The presence of the ethyl group further enhances its molecular complexity. As a dicarboxylate, it may exhibit acidic properties, allowing for potential interactions in various chemical environments. The oxazepine ring suggests potential applications in medicinal chemistry, as heterocyclic compounds often display biological activity. Additionally, the compound's structure may influence its solubility, stability, and reactivity, making it of interest in synthetic organic chemistry and material science. Overall, this compound's characteristics position it as a candidate for further research in various chemical applications, including pharmaceuticals and agrochemicals.
Formula:C13H23NO5
InChI:InChI=1S/C13H23NO5/c1-5-17-11(15)10-9-14(7-6-8-18-10)12(16)19-13(2,3)4/h10H,5-9H2,1-4H3
InChI key:InChIKey=NFMNWHFTGYMZQU-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1CC(C(OCC)=O)OCCC1
Synonyms:
  • 1,4-Oxazepine-2,4(5H)-dicarboxylic acid, tetrahydro-, 4-(1,1-dimethylethyl) 2-ethyl ester
  • 4-(1,1-Dimethylethyl) 2-ethyl tetrahydro-1,4-oxazepine-2,4(5H)-dicarboxylate
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