4-[3,3,4,4,5,5-Hexafluoro-2-[5-methyl-2-(1-oxidopyridin-1-ium-2-yl)-1,3-thiazol-4-yl]cyclopenten-1-yl]-5-methyl-2-(1-oxidopyridin-1-ium-2-yl)-1,3-thiazole | 1143515-36-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-[3,3,4,4,5,5-Hexafluoro-2-[5-methyl-2-(1-oxidopyridin-1-ium-2-yl)-1,3-thiazol-4-yl]cyclopenten-1-yl]-5-methyl-2-(1-oxidopyridin-1-ium-2-yl)-1,3-thiazole
• CAS: 1143515-36-9
• 化学式: C₂₃H₁₄F₆N₄O₂S₂
• 分子量: 556.512
• InChiKey: OQDZAZTWLKMHLU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  37
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  133
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  4-[3,3,4,4,5,5-Hexafluoro-2-[5-methyl-2-(1-oxidopyridin-1-ium-2-yl)-1,3-thiazol-4-yl]cyclopenten-1-yl]-5-methyl-2-(1-oxidopyridin-1-ium-2-yl)-1,3-thiazole 以 氯仿 为溶剂， 生成 2-[13,13,14,14,15,15-Hexafluoro-6,7-dimethyl-9-(1-oxidopyridin-2-ylidene)-5,8-dithia-3,10-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,10-trien-4-ylidene]pyridin-1-ium 1-oxide
  参考文献：
  名称：

  Easy and efficient tuning of the photochromic properties of 1,2-bis[5′-methyl-2′-(2″-pyridyl)thiazolyl]perfluorocyclopentene

  摘要：

  Photochromic properties of the tilted compound could be easily tuned by simple oxidation of the peripheral pyridine groups by mCBPA. The mono- and bis-oxidized dithiazolylethenes were found to display both Solution and single crystalline state photochromisms. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.01.078
• 作为产物：
  描述：

  2-[13,13,14,14,15,15-Hexafluoro-6,7-dimethyl-9-(1-oxidopyridin-2-ylidene)-5,8-dithia-3,10-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,10-trien-4-ylidene]pyridin-1-ium 1-oxide 以 氯仿 为溶剂， 生成 4-[3,3,4,4,5,5-Hexafluoro-2-[5-methyl-2-(1-oxidopyridin-1-ium-2-yl)-1,3-thiazol-4-yl]cyclopenten-1-yl]-5-methyl-2-(1-oxidopyridin-1-ium-2-yl)-1,3-thiazole
  参考文献：
  名称：

  Easy and efficient tuning of the photochromic properties of 1,2-bis[5′-methyl-2′-(2″-pyridyl)thiazolyl]perfluorocyclopentene

  摘要：

  Photochromic properties of the tilted compound could be easily tuned by simple oxidation of the peripheral pyridine groups by mCBPA. The mono- and bis-oxidized dithiazolylethenes were found to display both Solution and single crystalline state photochromisms. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.01.078