cis-1,2-bis-(N-methylpyridinium-4-yl)ethene diiodide | 101342-61-4

• 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: cis-1,2-bis-(N-methylpyridinium-4-yl)ethene diiodide
• 英文别名: cis 1,2-bis(1-methyl-4-pyridino)ethylene diiodide
• CAS: 101342-61-4
• 化学式: C₁₄H₁₆N₂*2I
• 分子量: 466.103
• InChiKey: DQSACRDMLHKCCP-LNKPDPKZSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.49
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  7.76
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  cis-1,2-bis-(N-methylpyridinium-4-yl)ethene diiodide 生成 N,N'-dimethyldipyridyliumethylene diiodide
  参考文献：
  名称：

  电荷转移和顺反光异构

  摘要：

  DOI：

  10.1021/j100351a027
• 作为产物：
  描述：

  N,N'-dimethyldipyridyliumethylene diiodide 生成 cis-1,2-bis-(N-methylpyridinium-4-yl)ethene diiodide
  参考文献：
  名称：

  电荷转移和顺反光异构

  摘要：

  DOI：

  10.1021/j100351a027

文献信息

• Schmauch, Georg; Knoch, Falk; Kisch, Horst, Chemische Berichte, 1994, vol. 127, # 2, p. 287 - 294
  作者：Schmauch, Georg、Knoch, Falk、Kisch, Horst

  DOI：——

  日期：——
• SUPRAMOLECULAR DONOR-ACCEPTOR COMPLEXES OF DICHLOROFLUORESCEIN ANDcis- ANDtrans-4,4?-(N,N?-DIMETHYLPYRIDINIUM)ETHYLENE
  作者：Itamar Willner、Sharon Marx-tibbon、Shmuel Cohen、Yoav Eichen、Menachem Kaftori

  DOI：10.1002/(sici)1099-1395(199706)10:6<435::aid-poc903>3.0.co;2-2

  日期：1997.6

  trans-4,4'(N,N'-Dimethylpyridinium)ethyl [trans-(1)] and cis-4,4'(N,N'-dimethylpyridinium)ethylen [cis-1] form with 2,7-dichlorofluorescein [DCF2-, (2)] donor-acceptor complexes of 1:1 stoichiometry [K(trans-1)=14 000 M-1 and K(cis-1)=300 M-1 in water], The lower affinity of cis-1 to form the donor-acceptor complex with DCF2-, (2), is attributed to the non planar structure of cis-1 (tilt-angle between the pyridinium rings=26 degrees). The solid-state structure of the complex between DCF2- and trans-1 indicates alternate stacking of donor and acceptor units with an inter-layer spacing of 3.4 Angstrom. Solubilization of the crystalline DCF2- and trans-1 complex in water or dimethylformamide (DMF) results in the initial formation of a non symmetric complex where a trans-1 unit Is inter-layered between two DCF2- components, and a second trans-1 unit is located externally to the supramolecular assembly and participates in charge neutralization [(DCF2-)(2)... trans-1/trans-1]. The primary non-symmetrical complex is thermally transformed to a themodynamically stable symmetric complex where the DCF2- and trans-1 form a sandwich type layered assembly [DCF2- ... trans-1], The structural features of the complexes were characterized by H-1-NMR spectroscopy, The kinetics of the transformation of the [(DCF2-)(2) ... trans-1/trans-1] complex to the [DCF2- ... trans-1] assembly was spectroscopically characterized in DMF (k=0.22 s(-1) at 322 K; E-a=20 kcal mol(-1)). (C) 1997 by John Wiley & Sons, Ltd.
• Schmauch, Georg; Knoch, Falk; Kisch, Horst, Chemische Berichte, 1995, vol. 128, # 3, p. 303 - 308
  作者：Schmauch, Georg、Knoch, Falk、Kisch, Horst

  DOI：——

  日期：——