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CAS 942492-09-3

:

1,1-Dimethylethyl (1S,4R)-1,2,3,4-tetrahydro-6-nitronaphthalen-1,4-imine-9-carboxylate

Description:
1,1-Dimethylethyl (1S,4R)-1,2,3,4-tetrahydro-6-nitronaphthalen-1,4-imine-9-carboxylate, identified by its CAS number 942492-09-3, is a chemical compound characterized by its complex structure, which includes a naphthalene core with a nitro group and an imine functional group. This compound features a tert-butyl group (1,1-dimethylethyl) that contributes to its steric properties and may influence its reactivity and solubility. The presence of the nitro group suggests potential applications in organic synthesis or as a precursor in the development of pharmaceuticals. The stereochemistry indicated by the (1S,4R) configuration implies specific spatial arrangements of atoms, which can significantly affect the compound's biological activity and interaction with other molecules. Additionally, the carboxylate group enhances its polarity, potentially affecting its solubility in various solvents. Overall, this compound's unique structural features may lend it interesting properties for research and application in medicinal chemistry or materials science.
Formula:C15H18N2O4
InChI:InChI=1S/C15H18N2O4/c1-15(2,3)21-14(18)16-12-6-7-13(16)11-8-9(17(19)20)4-5-10(11)12/h4-5,8,12-13H,6-7H2,1-3H3/t12-,13+/m0/s1
InChI key:InChIKey=QISHSLGQRNLFBK-QWHCGFSZSA-N
SMILES:C(OC(C)(C)C)(=O)N1[C@]2(C=3C([C@@]1(CC2)[H])=CC=C(N(=O)=O)C3)[H]
Synonyms:
  • 1,1-Dimethylethyl (1S,4R)-1,2,3,4-tetrahydro-6-nitronaphthalen-1,4-imine-9-carboxylate
  • Naphthalen-1,4-imine-9-carboxylic acid, 1,2,3,4-tetrahydro-6-nitro-, 1,1-dimethylethyl ester, (1S,4R)-
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