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Randall M. Claramunt – 1st expert on this subject based on the ideXlab platform

  • the azido tetrazole and diazo 1 2 3 triazole tautomerism in six membered heteroaromatic rings and their relationships with aromaticity azines and perimidine
    Tetrahedron, 2010
    Co-Authors: Ibon Alkorta, Fernando Blanco, Jose Elguero, Randall M. Claramunt


    Abstract The properties of 28 molecules together with 12 transition states belonging to the series of azido-azines, tetrazolo-azines, diazo-azines, and 1,2,3-triazolo-azines have been studied at the B3LYP/6-31G(d), B3LYP/6-311++G(d,p) and, for 26 cases, at the G3B3 level. Energies, NICS and bond critical points were used to discuss the ring-chain tautomerism of these compounds in relation with the aromaticity of the azines (pyridine, pyrimidine, quinazoline, 1,3-diazapyrene, and perimidine) and the azoles (tetrazoles and 1,2,3-triazoles).

Teresa M. V. D. Pinho E Melo – 2nd expert on this subject based on the ideXlab platform

  • Synthesis of Thieno[2,3-d]pyrimidines via Microwave-Assisted Thermolysis of 1-(Thiophene-2-yl)-1H-Tetrazoles
    ChemistrySelect, 2016
    Co-Authors: Maria I. L. Soares, Teresa M. V. D. Pinho E Melo, Rui Fausto


    A selective and efficient method for the synthesis of unusual thieno[2,3-d]pyrimidines incorporating two thiophene rings via thermal reactions of 1-(thiophene-2-yl)-1H-Tetrazoles is reported. Microwave-assisted thermolysis of 1-(thiophene-2-yl)-1H-Tetrazoles at 160 °C in a water/toluene (2:1) solvent system afforded thieno[2,3-d]pyrimidines in moderate to good yield (up to 66 %) as single products.

  • Thermolysis of 1-(thiophen-2-yl)-1H-Tetrazoles: a route to thiophene-fused imidazoles and pyrimidines
    Tetrahedron, 2015
    Co-Authors: Maria I. L. Soares, Ana C. F. De Lyra, Marta S. C. Henriques, José A. Paixão, Teresa M. V. D. Pinho E Melo


    Abstract Thermal reactions of 1-(thiophene-2-yl)-1H-Tetrazoles are reported for the first time. The solution thermolysis of 1-(thiophene-2-yl)-1H-Tetrazoles under conventional heating and microwave irradiation afforded the unexpected new thieno[2,3-d]pyrimidines incorporating two thiophene rings, which were obtained as major or only product. The synthesis of these heterocycles was rationalized considering the initial nitrogen elimination to generate imidoylnitrene followed by rearrangement to the corresponding carbodiimide and subsequent cyclization triggered by the nucleophilic attack of the in situ generated 2-aminothiophene. The flash vacuum pyrolysis and solution thermolysis of 1-(thiophene-2-yl)-1H-Tetrazoles also gave thieno[2,3-d]imidazoles via intramolecular formal insertion into a C–C bond of the corresponding imidoylnitrene intermediate.

Hong Zhao – 3rd expert on this subject based on the ideXlab platform

  • The synthesis and structures of deuterium‐labeled 5‐substituted 1H‐tetrazoles
    Journal of Labelled Compounds and Radiopharmaceuticals, 2008
    Co-Authors: Hong Zhao


    The synthesis and crystal structures of deuterium-labeled 5-substituted 1H-Tetrazoles, 5-[2H5]phenyl-1H-Tetrazole (I), 5-[2H7]tolyl-1H-Tetrazole (II), and 5-[2H7]benzyl-1H-Tetrazole (III) are reported. All syntheses were carried out using simple, facile steps and the products were obtained in high yields. Copyright © 2008 John Wiley & Sons, Ltd.

  • in situ hydrothermal synthesis of tetrazole coordination polymers with interesting physical properties
    Chemical Society Reviews, 2008
    Co-Authors: Hong Zhao, Zhirong Qu, H Ye, Rengen Xiong


    Tetrazole compounds have been studied for more than one hundred years and applied in various areas. Several yeas ago Sharpless and his co-workers reported an environmentally friendly process for the preparation of 5-substituted 1H-Tetrazoles in water with zinc salt as catalysts. To reveal the exact role of the zinc salt in this reaction, a series of hydrothermal reactions aimed at trapping and characterizing the solid intermediates were investigated. This study allowed us to obtain a myriad interesting metal–organic coordination polymers that not only partially showed the role of the metal species in the synthesis of tetrazole compounds but also provided a class of complexes displaying interesting chemical and physical properties such as second harmonic generation (SHG), fluorescence, ferroelectric and dielectric behaviors. In this tutorial review, we will mainly focus on tetrazole coordination compounds synthesized by in situhydrothermal methods. First, we will discuss the synthesis and crystal structures of these compounds. Their various properties will be mentioned and we will show the applications of tetrazole coordination compounds in organic synthesis. Finally, we will outline some expectations in this area of chemistry. The direct coordination chemistry of tetrazoles to metal ions and in situ synthesis of tetrazole through cycloaddition between organotin azide and organic cyano group will be not discussed in this review.