[1,1′-(propane-1,3-diyl)bispyridinium diiodide] | 34329-68-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [1,1′-(propane-1,3-diyl)bispyridinium diiodide]
• 英文别名: 1,3-bis(pyridinium)propane diiodide；1,1'-propanediyl-bis-pyridinium; diiodide；1,1'-Propandiyl-bis-pyridinium; Dijodid；1-(3-pyridin-1-ium-1-ylpropyl)pyridin-1-ium;iodide
• CAS: 34329-68-5
• 化学式: C₁₃H₁₆N₂*2I
• 分子量: 454.092
• InChiKey: QZEOLZRNZSPQOX-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.64
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  7.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  [1,1′-(propane-1,3-diyl)bispyridinium diiodide] 在 silver tetrafluoroborate 作用下， 以 水 为溶剂， 生成 1,3-bis(pyridinium)propane bis(tetrafluoroborate)
  参考文献：
  名称：

  通过包裹在葫芦丝中对双（吡啶）烷烃阳离子还原电位的调节[7]

  摘要：

  描述了两个系列的双（吡啶）烷烃盐的还原电位的超分子调节。在CB [7]腔内对双（吡啶）烷客体的封装研究表明，连接子的长度和杂原子的位置对被封装客体的还原电位有关键影响。吡啶鎓盐的CB [7]络合引起的还原电位变化范围为+50至-430 mV。有机阳离子的电子接受能力的非共价调节可用于电子转移引发的反应中。

  DOI：

  10.1021/acs.joc.9b01049
• 作为产物：
  描述：

  吡啶 、 1,3-二碘丙烷 以 乙腈 为溶剂， 以92%的产率得到[1,1′-(propane-1,3-diyl)bispyridinium diiodide]
  参考文献：
  名称：

  通过包裹在葫芦丝中对双（吡啶）烷烃阳离子还原电位的调节[7]

  摘要：

  描述了两个系列的双（吡啶）烷烃盐的还原电位的超分子调节。在CB [7]腔内对双（吡啶）烷客体的封装研究表明，连接子的长度和杂原子的位置对被封装客体的还原电位有关键影响。吡啶鎓盐的CB [7]络合引起的还原电位变化范围为+50至-430 mV。有机阳离子的电子接受能力的非共价调节可用于电子转移引发的反应中。

  DOI：

  10.1021/acs.joc.9b01049

文献信息

• Structural and Physical Properties of a Series of 7,7,8,8-Tetracyanoquinodimethane Salts with Dications Bearing Two Terminal Pyridinium Rings
  作者：Hiroyuki Kubota、Yukihiro Takahashi、Jun Harada、Tamotsu Inabe

  DOI：10.1021/cg500820v

  日期：2014.11.5

  A series of radical anion salts composed of 7,7,8,8-tetracyanoquinodimethane (TCNQ) and dications with -CnH2n- (n = 16) chains between two pyridinium rings are synthesized. The dication and TCNQ formed either 1:4 or 1:3 stoichiometries with no correlation between the composition and n. The 1:4 stoichiometry salts were obtained when n = 1, 3, 4, 5, 6, where TCNQ formed a one-dimensional column with either dimerization or tetramerization. In these salts, the individual dication length varied considerably, but the effective dication length (the distance between two adjacent dications in the lattice) was independent of n. For n = 1, solvent molecules were involved. However, the 1:4 stoichiometry could not be formed for n = 2 since an appropriate effective dication length could not be attained. The 1:3 stoichiometry salts were obtained when n = 2 and 6. In both crystals, TCNQ assembled into a trimer. For both stoichiometries, the crystals were moderately conducting (resistivity at room temperature: 10(-1)10(4) Omega cm) and had a semiconducting temperature dependence, demonstrating nonuniform TCNQ stacking. The charge-localized feature was revealed by the magnetic properties. All of the salts showed antiferromagnetic interactions between the localized spins with varying exchange interaction parameters, reflecting the structural features.
• Modulation of Reduction Potentials of Bis(pyridinium)alkane Dications through Encapsulation within Cucurbit[7]uril
  作者：Nikolai A. Tcyrulnikov、Ramkumar Varadharajan、Anastasiia A. Tikhomirova、Mahesh Pattabiraman、Vaidhyanathan Ramamurthy、R. Marshall Wilson

  DOI：10.1021/acs.joc.9b01049

  日期：2019.7.5

  modulation of reduction potentials of two series of bis(pyridinium)alkane salts is described. Study of the encapsulation of bis(pyridinium)alkane guests within the CB[7] cavity revealed the critical influence of the linker length and the position of the heteroatom on the reduction potentials of encapsulated guests. CB[7] complexation of pyridinium salts induced reduction potential changes ranging between

  描述了两个系列的双（吡啶）烷烃盐的还原电位的超分子调节。在CB [7]腔内对双（吡啶）烷客体的封装研究表明，连接子的长度和杂原子的位置对被封装客体的还原电位有关键影响。吡啶鎓盐的CB [7]络合引起的还原电位变化范围为+50至-430 mV。有机阳离子的电子接受能力的非共价调节可用于电子转移引发的反应中。