mono-6-deoxy-6-[2-(3-methyl-2-benzothiazole methyne) pyridinium]-β-cyclodextrin iodide | 1403607-67-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: mono-6-deoxy-6-[2-(3-methyl-2-benzothiazole methyne) pyridinium]-β-cyclodextrin iodide
• CAS: 1403607-67-9
• 化学式: C₅₆H₈₁N₂O₃₄S*I
• 分子量: 1485.22
• InChiKey: YHBMCXXDJVDDJF-KBMUOJFISA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -14.69
• 重原子数：
  94.0
• 可旋转键数：
  9.0
• 环数：
  24.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  540.94
• 氢给体数：
  20.0
• 氢受体数：
  36.0

反应信息

• 作为产物：
  描述：

  mono-6-deoxy-6-(2-methylpyridinium)-β-cyclodextrin-p-toluenesulfonate 、 3-甲基-2-(甲硫基)-苯并噻唑鎓碘化物(1:1) 在 哌啶 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 以11%的产率得到mono-6-deoxy-6-[2-(3-methyl-2-benzothiazole methyne) pyridinium]-β-cyclodextrin iodide
  参考文献：
  名称：

  Synthesis, spectral properties of cyanine dyes-β-cyclodextrin and their application as the supramolecular host with spectroscopic probe

  摘要：

  Six new cyanine dye functionalised beta-cyclodextrins were designed and synthesized to improve the drawback of the inadequate chromophore in beta-cyclodextrin and to be suitable for the study of supramolecular interactions directly by visible spectroscopy. The dye structures were confirmed by H-1 NMR, IR, UV-Vis and HRMS. The UV-Vis spectra of the new cyanine dyes in different solvents were investigated. The inclusion behaviour of a quinocyanine derived beta-cyclodextrin dye which was used as the supramolecular host with 1-adamantanol or vitamin B-6 was investigated. The results indicated that the stoichiometry for the inclusion complex of the quinocyanine derived beta-cyclodextrin dye and both 1-adamantanol and vitamin B-6 was 1:1, and their inclusion constants were 9.39 x 10(4) L/mol and 6.14 x 10(2) L/mol, respectively. The quinocyanine derived beta-cyclodextrin dye was also used as the supramolecular host for the analysis of vitamin B-6 in tablets with satisfactory results. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2012.08.010