基于双（3,5-二叔丁基吡唑-1-基）二硫代乙酸酯的异蝎形配合物。

Heteroscorpionate complexes based on bis(3,5-di-tert-butylpyrazol-1-yl)dithioacetate.

作者信息

Tampier Stefan, Burzlaff Nicolai

机构信息

Department of Chemistry and Pharmacy, University of Erlangen-Nürnberg, Egerlandstrasse 1, D-91058 Erlangen, Germany.

出版信息

Acta Crystallogr C. 2013 Sep;69(Pt 9):981-5. doi: 10.1107/S0108270113021148. Epub 2013 Aug 21.

DOI:10.1107/S0108270113021148

PMID:24005504

Abstract

The heteroscorpionate ligand bis(3,5-di-tert-butylpyrazol-1-yl)dithioacetate (bdtbpzdta) has been synthesized by reacting bis(3,5-di-tert-butylpyrazol-1-yl)methane with n-BuLi and CS2. The ligand was isolated as bis(3,5-di-tert-butylpyrazol-1-yl)dithioacetatolithium(I) tetrahydrofuran monosolvate, [Li(C24H39N4S2)(C4H8O)]·C4H8O or [Li(bdtbpzdta)(THF)]·THF, in which the lithium cation is bound by the κ(3)N,N',S-coordinated heteroscorpionate ligand. A similar coordination mode is observed for a zinc chloride complex bearing the bdtbpzdta ligand, namely [bis(3,5-di-tert-butylpyrazol-1-yl)dithioacetato]chloridozinc(II), [Zn(C24H39N4S2)Cl] or [Zn(bdtbpzdta)Cl], which exhibits κ(3)N,N',S-coordination and resembles the active site of zinc-containing peptide deformylases (PDFs).

摘要

通过使双(3,5 -二叔丁基吡唑-1-基)甲烷与正丁基锂和二硫化碳反应，合成了异蝎形配体双(3,5 -二叔丁基吡唑-1-基)二硫代乙酸酯(bdtbpzdta)。该配体以双(3,5 -二叔丁基吡唑-1-基)二硫代乙酸根锂(I)四氢呋喃单溶剂合物，即[Li(C₂₄H₃₉N₄S₂)(C₄H₈O)]·C₄H₈O或[Li(bdtbpzdta)(THF)]·THF的形式分离得到，其中锂阳离子通过κ(3)N,N',S -配位的异蝎形配体结合。对于带有bdtbpzdta配体的氯化锌配合物，即[双(3,5 -二叔丁基吡唑-1-基)二硫代乙酸根]氯合锌(II)，[Zn(C₂₄H₃₉N₄S₂)Cl]或[Zn(bdtbpzdta)Cl]，观察到类似的配位模式，其呈现κ(3)N,N',S -配位，并且类似于含锌肽脱甲酰基酶(PDFs)的活性位点。