bis-(1-benzimidazolymethylene)-(2,5-thiadiazoly)-disulfide | 1188405-03-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: bis-(1-benzimidazolymethylene)-(2,5-thiadiazoly)-disulfide
• 英文别名: bis-(1-benzoimidazolymethylene)-(2,5-thiadiazoly)-disulfide；2,5-Bis(benzimidazol-1-ylmethylsulfanyl)-1,3,4-thiadiazole；2,5-bis(benzimidazol-1-ylmethylsulfanyl)-1,3,4-thiadiazole
• CAS: 1188405-03-9
• 化学式: C₁₈H₁₄N₆S₃
• 分子量: 410.547
• InChiKey: ODVLSEIXHPLGML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  140
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  甲醇 、 copper(ll) sulfate pentahydrate 、 bis-(1-benzimidazolymethylene)-(2,5-thiadiazoly)-disulfide 以 甲醇 、 水 为溶剂， 以65%的产率得到[Cu(SO4)(bis-(1-benzoimidazolymethylene)-(2,5-thiadiazoly)-disulfide)]*CH3OH
  参考文献：
  名称：

  Subtle role of counteranions in molecular construction: Structures and properties of novel Cu(II) coordination complexes with bis-(1-benzoimidazolymethylene)-(2,5-thiadiazoly)-disulfide

  摘要：

  The direct self-assembly of bis-(1-benzoimidazolymethylene)-(2,5-thiadiazoly)-disulfide (L) with CuSO4, Cu(NO3)(2) and CuCl2 affords three novel supramolecular complexes: 1-D ladder-like chain complex {[Cu(SO4)(L)] center dot (CH3OH)}(n) (1), dimer complexes {[Cu(L)(CH3O)](2)(NO3)(2)} center dot 2H(2)O (2) and [Cu(L)(Cl)(N-3)](2) center dot 2CH(3)OH (3). The nature of the anions is the underlying reason behind the differences in the structures of this series of complexes. Furthermore, utilizing the coordinatively unsaturated complexes 2 and 3 as precursor complexes, two new derivative complexes [Cu(L)(NCS)(CH3O)](2) center dot 2CH(3)OH (2A) and [Cu(L)(ClO4)(N-3)](2) center dot 2CH(3)OH (3A) are obtained by the addition and exchange reactions of complexes 2 and 3 with anions. X-ray crystallographic analysis shows that the two derivatives retain the skeletons of their precursor complexes, and the anions with the stronger coordination capacity only bind to the active position of precursor complexes. In addition, different from the obvious effects on the structures in the direct self-assembly of the metal and ligand, the change of counteranions has no great impact on the structures in the anion exchange reactions. We also study the catalytic activities of the complexes 2, 2A, 3, and 3A, which have similar skeletons, for the oxidative coupling polymerization of 2,6-dimethylphenol (DMP). And we find that the introductions of different coordination counterions produce significant impacts on the catalytic properties of these complexes. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.03.045
• 作为产物：
  描述：

  (9ci)-1-(氯甲基)-1H-苯并咪唑 、 2,5-二巯基噻二唑 在 potassium hydroxide 作用下， 以 甲醇 为溶剂， 反应 24.25h， 以80%的产率得到bis-(1-benzimidazolymethylene)-(2,5-thiadiazoly)-disulfide
  参考文献：
  名称：

  Subtle role of counteranions in molecular construction: Structures and properties of novel Cu(II) coordination complexes with bis-(1-benzoimidazolymethylene)-(2,5-thiadiazoly)-disulfide

  摘要：

  The direct self-assembly of bis-(1-benzoimidazolymethylene)-(2,5-thiadiazoly)-disulfide (L) with CuSO4, Cu(NO3)(2) and CuCl2 affords three novel supramolecular complexes: 1-D ladder-like chain complex {[Cu(SO4)(L)] center dot (CH3OH)}(n) (1), dimer complexes {[Cu(L)(CH3O)](2)(NO3)(2)} center dot 2H(2)O (2) and [Cu(L)(Cl)(N-3)](2) center dot 2CH(3)OH (3). The nature of the anions is the underlying reason behind the differences in the structures of this series of complexes. Furthermore, utilizing the coordinatively unsaturated complexes 2 and 3 as precursor complexes, two new derivative complexes [Cu(L)(NCS)(CH3O)](2) center dot 2CH(3)OH (2A) and [Cu(L)(ClO4)(N-3)](2) center dot 2CH(3)OH (3A) are obtained by the addition and exchange reactions of complexes 2 and 3 with anions. X-ray crystallographic analysis shows that the two derivatives retain the skeletons of their precursor complexes, and the anions with the stronger coordination capacity only bind to the active position of precursor complexes. In addition, different from the obvious effects on the structures in the direct self-assembly of the metal and ligand, the change of counteranions has no great impact on the structures in the anion exchange reactions. We also study the catalytic activities of the complexes 2, 2A, 3, and 3A, which have similar skeletons, for the oxidative coupling polymerization of 2,6-dimethylphenol (DMP). And we find that the introductions of different coordination counterions produce significant impacts on the catalytic properties of these complexes. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.03.045

文献信息

• Syntheses, Crystal Structures, and Properties of Ferrocene–Carboxylate Coordination Complexes Through Modulating the Auxiliary Ligands
  作者：R. Y. Li、Y. J. Li、X. H. Lu、Y. T. Zhang、X. L. Gao、X. T. Wang、Z. G. Li、Y. Zhu、J. P. Li

  DOI：10.1134/s1070328420010042

  日期：2020.1

  5-thiadiazoly)-disulfide). Their structures have been determined by single-crystal X-ray diffraction analyses (CIF files CCDC nos. 948969 (I), 948970 (II), 948971 (III), 948972 (IV)), and further characterized by elemental analyses, IR spectra, and thermogravimetric analyses. Crystallographic characterization shows the two neutral complexes I and II to have dinuclear structures which are bridged through Pbbbm

  摘要在不同的含氮辅助配体存在下，柔性二茂铁基嵌段（3-羧基-1-氧丙基）-二茂铁与Zn（II）/ Cd（II）阳离子的自组装产生了四个配位化合物，即[ Zn（FcCOC 2 H 4 COO）2（Pbbbm）} 2 ]·1 / 2CH 3 OH（I），[Zn-（FcCOC 2 H 4 COO）2（Btx）} 2 ]·2H 2 O（II），[锌（FcCOC 2 ħ 4 COO）2（Bbbmd）]（III），和[CD（η 2 -FcCOC 2 ħ 4COO）2（Bbbmd）]（IV）（FC =（η 5 -C 5 H ^ 4）的Fe（η 5 -C 5 H ^ 4），Pbbbm = 1,4-双（苯并咪唑-1-基甲基） -苯， Btx ＝ 1，4-双（1,2,4-三唑-1-基甲基）-苯，Bbbmd ＝双-（1-苯并咪唑基亚甲基）-（2,5-噻二唑基）-二硫化物）。它们的结构已通过单晶X射线衍射分析