3,11-dibenzyl-7,14,15-trithia-3,11-diazadispiro[5.1.5⁸.2⁶]pentadecane | 6959-94-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 3,11-dibenzyl-7,14,15-trithia-3,11-diazadispiro[5.1.5⁸.2⁶]pentadecane
• 英文别名: 3,11-Dibenzyl-7,14,15-trithia-3,11-diazadispiro(5.1.5.2)pentadecane；3,11-dibenzyl-7,14,15-trithia-3,11-diazadispiro[5.1.58.26]pentadecane
• CAS: 6959-94-0
• 化学式: C₂₄H₃₀N₂S₃
• 分子量: 442.714
• InChiKey: XIXYUPPMRYETOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  29.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  6.48
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  十二羰基三铁 、 3,11-dibenzyl-7,14,15-trithia-3,11-diazadispiro[5.1.5⁸.2⁶]pentadecane 反应 3.0h， 以73%的产率得到
  参考文献：
  名称：

  Synthesis and characterization of [FeFe]-hydrogenase models mediated by a 1,2,4-trithiolane derivative: Insight into molecular structures and electrochemical characteristics

  摘要：

  In this report two diiron hexacarbonyl complexes containing sulphur-rich heterocycles have been prepared as [FeFe]-hydrogenase mimics. These two complexes are obtained from the reaction of Fe-3(CO)(12) with 3,11-dibenzyl-7,14,15-trithia-3,11-diazadispira[5.1.5(8).2(6)]pentadecane. They have been characterized by different spectroscopic techniques (H-1 and C-13(H-1) NMR, IR and MS) as well as X-ray diffraction analysis. Moreover, we have investigated the influence of the sulphur-rich heterocycles linker on the redax potentials of the complexes and their catalytic ability in the presence of acetic acid (AcOH) by applying cyclic voltammetry. (C) 2019 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2019.114155

文献信息

• Synthesis and characterization of [FeFe]-hydrogenase models mediated by a 1,2,4-trithiolane derivative: Insight into molecular structures and electrochemical characteristics
  作者：Hassan Abul-Futouh、Ahmad Q. Daraosheh、Jochen Windhager、Helmar Görls、Wolfgang Weigand

  DOI：10.1016/j.poly.2019.114155

  日期：2019.12

  In this report two diiron hexacarbonyl complexes containing sulphur-rich heterocycles have been prepared as [FeFe]-hydrogenase mimics. These two complexes are obtained from the reaction of Fe-3(CO)(12) with 3,11-dibenzyl-7,14,15-trithia-3,11-diazadispira[5.1.5(8).2(6)]pentadecane. They have been characterized by different spectroscopic techniques (H-1 and C-13(H-1) NMR, IR and MS) as well as X-ray diffraction analysis. Moreover, we have investigated the influence of the sulphur-rich heterocycles linker on the redax potentials of the complexes and their catalytic ability in the presence of acetic acid (AcOH) by applying cyclic voltammetry. (C) 2019 Elsevier Ltd. All rights reserved.