1,3,3-trimethyl-2-[3-(1,3,3-trimethyl-1,3-dihydroindol-2-ylidene)cyclopenta-1,4-dienyl]-3H-indolium perchlorate | 1148037-93-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 1,3,3-trimethyl-2-[3-(1,3,3-trimethyl-1,3-dihydroindol-2-ylidene)cyclopenta-1,4-dienyl]-3H-indolium perchlorate
• 英文别名: 1,3,3-trimethyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)cyclopenta-2,4-dien-1-ylidene]indole;perchlorate
• CAS: 1148037-93-7
• 化学式: C₂₇H₂₉N₂*ClO₄
• 分子量: 480.991
• InChiKey: YKHHPNHBCTUFPF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.11
• 重原子数：
  34
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  80.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1,3,3-trimethyl-2-[3-(1,3,3-trimethyl-1,3-dihydroindol-2-ylidene)cyclopenta-1,4-dienyl]-3H-indolium tetrafluoroborate 在 sodium perchlorate 作用下， 以 乙腈 为溶剂， 生成 1,3,3-trimethyl-2-[3-(1,3,3-trimethyl-1,3-dihydroindol-2-ylidene)cyclopenta-1,4-dienyl]-3H-indolium perchlorate
  参考文献：
  名称：

  Carbocyanines — derivatives of nitrogen-containing heterocycles with bridging groups in the chromophore

  摘要：

  Tetramethylene-2,2'-bis(1,3,3-trimethyl-(3H)-indolium),-3-ethylbenzothiazolium,-1-methyl-quinolinium, and-1-methyl-and-1-butylbenz[c,d]indolium salts were synthesized starting from them trimethinecyanines containing an ethylene bridging group in the alpha, alpha'-positions of the chromophore have been prepared. These compounds are converted to their analogs containing a vinylene group by the action of benzoquinones. In the case of thiacarbocyanines the effect of the indicated bridging groups on the conformation and protonation route of the carbocyanines has been studied. The chromaticity of the dyes has been investigated.

  DOI：

  10.1007/s10593-008-0007-7