1,4-dimethyl-2,6-di(2-thienyl)pyridinium perchlorate | 1359164-19-4

• 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: 1,4-dimethyl-2,6-di(2-thienyl)pyridinium perchlorate
• 英文别名: 1,4-dimethyl-2,6-dithiophen-2-ylpyridin-1-ium;perchlorate
• CAS: 1359164-19-4
• 化学式: C₁₅H₁₄NS₂*ClO₄
• 分子量: 371.865
• InChiKey: QXJMXAOLOSOQSV-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.48
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  135
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,4-dimethyl-2,6-di(2-thienyl)pyridinium perchlorate 、 3,5-二叔丁基-4-羟基苯甲醛 在 哌啶 、 吡啶 、 高氯酸 作用下， 以 乙腈 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Two heterocyclic merocyanine classes and their optical properties in relation to the donor-acceptor strength of end substituents

  摘要：

  The relationship between the first electronic transition energy of heterocyclic merocyanines and donor-acceptor properties of their end substituents has been quailtatively treated and analytically substantiated in terms of the classical valence bond model and the biradicaloid theory. A simple graphical technique has been suggested to classify donor-acceptor-substituted compounds in relation to their electronic structure and to predict the effect of donor-acceptor strength on their optical behavior. In this context, merocyanines can be divided into two classes which differ in charges and electron populations of their donor and acceptor moieties and exhibit mirror-like responses to the variation of donor-acceptor strength. Two families of new heterocyclic merocyanines have been synthesized and their experimentally observed spectroscopic properties have been rationalized using the approach developed.

  DOI：

  10.1007/s10593-012-0900-y