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Synthesis and Prior Misidentification of 4-tert-Butyl-2,6-dinitrobenzaldehyde.

Daniel J MartinBrandon Q MercadoJames M Mayer
Published in: The Journal of organic chemistry (2019)
Substituted 2,6-dinitrobenzaldehydes are valuable synthetic precursors and have been prepared by several methods. We report here that one reported synthetic method actually forms the 3,5-dinitro isomer, 4-tert-butyl-3,5-dinitrobenzaldehyde, instead of the claimed 2,6-isomer, 4-tert-butyl-2,6-dinitrobenzaldehyde. Improved syntheses for the large-scale preparation of both compounds and their single-crystal X-ray structures are described.
Keyphrases
  • high resolution
  • molecular docking
  • simultaneous determination