Calix[n]triazoles and Related Conformational Studies

Illan Kim, Kyoung Chul Ko, Woo Ram Lee, Jihee Cho, Jong Hun Moon, Dohyun Moon, Amit Sharma, Jin Yong Lee, Jong Seung Kim, Sanghee Kim

Research output: Contribution to journalArticlepeer-review

6 Citations (Scopus)

Abstract

Calix[n]triazoles are developed as new derivatives in the calixarene family. Calixtriazole compounds 2-4 are synthesized using an iterative convergent strategy including an inter-/intramolecular copper(I)-catalyzed azide-alkyne cycloaddition reaction. Solid-state structures are clearly refined to give 1,2-alternate and partial cone conformations for calix[4]triazole and calix[5]triazole, respectively. Theoretical studies based on density functional theory (DFT) calculations indicated that intermolecular interactions are crucial in determining the conformers of the crystals, and the most stable conformers of calix[4]triazole, calix[5]triazole, and calix[6]triazole in the monomeric forms are 1,3-alternate, 1,3-alternate, and 1,3,5-alternate, respectively.

Original languageEnglish
Pages (from-to)5509-5512
Number of pages4
JournalOrganic Letters
Volume19
Issue number20
DOIs
Publication statusPublished - 2017 Oct 20

ASJC Scopus subject areas

  • Biochemistry
  • Physical and Theoretical Chemistry
  • Organic Chemistry

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