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CAS 1290627-68-7

:

rel-4-(1,1-Dimethylethyl) 6-ethyl (4aR,6S,7aR)-hexahydrocyclopent[b]-1,4-oxazine-4,6(4aH)-dicarboxylate

Description:
The chemical substance known as rel-4-(1,1-Dimethylethyl) 6-ethyl (4aR,6S,7aR)-hexahydrocyclopent[b]-1,4-oxazine-4,6(4aH)-dicarboxylate, with the CAS number 1290627-68-7, is a complex organic compound characterized by its unique bicyclic structure that incorporates an oxazine ring. This compound features multiple functional groups, including dicarboxylate moieties, which contribute to its reactivity and potential applications in various fields, such as pharmaceuticals or agrochemicals. The presence of tert-butyl and ethyl substituents suggests that it may exhibit hydrophobic properties, influencing its solubility and interaction with biological systems. The stereochemistry indicated by the (4aR,6S,7aR) configuration implies specific spatial arrangements of atoms, which can significantly affect the compound's biological activity and pharmacokinetics. Overall, this substance's intricate structure and functional groups make it a subject of interest for further research and development in synthetic chemistry and medicinal applications.
Formula:C15H25NO5
InChI:InChI=1/C15H25NO5/c1-5-19-13(17)10-8-11-12(9-10)20-7-6-16(11)14(18)21-15(2,3)4/h10-12H,5-9H2,1-4H3/t10-,11+,12+/s2
InChI key:InChIKey=RLBZVNJGAHTMMY-RNSKGSLNNA-N
SMILES:C(OC(C)(C)C)(=O)N1[C@@]2([C@](C[C@H](C(OCC)=O)C2)(OCC1)[H])[H]
Synonyms:
  • rel-4-(1,1-Dimethylethyl) 6-ethyl (4aR,6S,7aR)-hexahydrocyclopent[b]-1,4-oxazine-4,6(4aH)-dicarboxylate
  • Cyclopent[b]-1,4-oxazine-4,6(4aH)-dicarboxylic acid, hexahydro-, 4-(1,1-dimethylethyl) 6-ethyl ester, (4aR,6S,7aR)-rel-
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