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Calix[n]triazoles and Related Conformational Studies.
- Source :
-
Organic letters [Org Lett] 2017 Oct 20; Vol. 19 (20), pp. 5509-5512. Date of Electronic Publication: 2017 Oct 11. - Publication Year :
- 2017
-
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.
Details
- Language :
- English
- ISSN :
- 1523-7052
- Volume :
- 19
- Issue :
- 20
- Database :
- MEDLINE
- Journal :
- Organic letters
- Publication Type :
- Academic Journal
- Accession number :
- 29019410
- Full Text :
- https://doi.org/10.1021/acs.orglett.7b02557