(2R,3R,4S,5S,6R)-2-[[1-[[8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-[[4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]methyl]-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]methyl]triazol-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 1417791-71-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2R,3R,4S,5S,6R)-2-[[1-[[8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-[[4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]methyl]-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]methyl]triazol-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• CAS: 1417791-71-9
• 化学式: C₃₅H₄₀F₆N₆O₁₂S₂
• 分子量: 914.858
• InChiKey: LTOPTJQMJQWVGJ-XTASCGDYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.4
• 重原子数：
  61
• 可旋转键数：
  12
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  311
• 氢给体数：
  8
• 氢受体数：
  24

反应信息

• 作为反应物：
  描述：

  (2R,3R,4S,5S,6R)-2-[[1-[[8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-[[4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]methyl]-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]methyl]triazol-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 以 水 为溶剂， 生成 1,2-bis{2-methyl-5-[5-(2,3,4,6-tetrahydroxyl-β-D-glucoside)-3-(1,2,3-triazole)]methyl-3-thienyl}perfluorocyclopentene
  参考文献：
  名称：

  新型的具有葡糖基三唑基的水溶性二芳基乙烯的合成和光致变色

  摘要：

  首次探索了一种新型的带有葡萄糖基三唑基的水溶性二芳基乙烯，并讨论了其性质，包括光致变色，热稳定性和荧光性。二芳基乙烯具有非常好的溶解度，在300 K时在水中的溶解值为750 mg mL -1。通过在水和聚（甲基丙烯酸甲酯）薄膜中进行光辐照，二芳基乙烯表现出出色的光致变色现象，并伴随着从无色到红色的颜色变化。其闭环异构体的最大吸收分别在水中在516 nm和在聚（甲基丙烯酸甲酯）薄膜中在520 nm处观察到。在聚（甲基丙烯酸甲酯）膜中，二芳基乙烯显示出显着的荧光开关，其发射强度被淬灭至约1。在静止状态下占25％。

  DOI：

  10.1016/j.tetlet.2012.11.056
• 作为产物：
  描述：

  1,2-bis{2-methyl-5-[5-(2,3,4,6-tetrahydroxyl-β-D-glucoside)-3-(1,2,3-triazole)]methyl-3-thienyl}perfluorocyclopentene 以 水 为溶剂， 生成 (2R,3R,4S,5S,6R)-2-[[1-[[8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-[[4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]methyl]-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]methyl]triazol-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  参考文献：
  名称：

  新型的具有葡糖基三唑基的水溶性二芳基乙烯的合成和光致变色

  摘要：

  首次探索了一种新型的带有葡萄糖基三唑基的水溶性二芳基乙烯，并讨论了其性质，包括光致变色，热稳定性和荧光性。二芳基乙烯具有非常好的溶解度，在300 K时在水中的溶解值为750 mg mL -1。通过在水和聚（甲基丙烯酸甲酯）薄膜中进行光辐照，二芳基乙烯表现出出色的光致变色现象，并伴随着从无色到红色的颜色变化。其闭环异构体的最大吸收分别在水中在516 nm和在聚（甲基丙烯酸甲酯）薄膜中在520 nm处观察到。在聚（甲基丙烯酸甲酯）膜中，二芳基乙烯显示出显着的荧光开关，其发射强度被淬灭至约1。在静止状态下占25％。

  DOI：

  10.1016/j.tetlet.2012.11.056

文献信息

• Synthesis and photochromism of a novel water-soluble diarylethene with glucosyltriazolyl groups
  作者：Zhipeng Tong、Shouzhi Pu、Qiang Xiao、Gang Liu、Shiqiang Cui

  DOI：10.1016/j.tetlet.2012.11.056

  日期：2013.2

  glucosyltriazolyl groups has been explored for the first time, and its properties including photochromism, thermal stability, and fluorescence have been discussed. The diarylethene has very good solubility with a value of 750 mg mL−1 in water at 300 K. It showed excellent photochromism, accompanied with the color change from colorless to red, by photoirradiation in both water and a poly(methylmethacrylate) film

  首次探索了一种新型的带有葡萄糖基三唑基的水溶性二芳基乙烯，并讨论了其性质，包括光致变色，热稳定性和荧光性。二芳基乙烯具有非常好的溶解度，在300 K时在水中的溶解值为750 mg mL -1。通过在水和聚（甲基丙烯酸甲酯）薄膜中进行光辐照，二芳基乙烯表现出出色的光致变色现象，并伴随着从无色到红色的颜色变化。其闭环异构体的最大吸收分别在水中在516 nm和在聚（甲基丙烯酸甲酯）薄膜中在520 nm处观察到。在聚（甲基丙烯酸甲酯）膜中，二芳基乙烯显示出显着的荧光开关，其发射强度被淬灭至约1。在静止状态下占25％。
• The effects of phenyl-bridged glucosyltriazolyl groups on the properties of water-soluble diarylethene derivatives
  作者：Shouzhi Pu、Hongliang Liu、Gang Liu、Bing Chen、Zhipeng Tong

  DOI：10.1016/j.tet.2013.12.037

  日期：2014.1

  Three water-soluble diarylethenes with glycosyltriazolyl groups and variable phenyl units have been synthesized, and their properties, such as water solubility, photochromism, and fluorescence have been discussed. Upon alternating irradiation with UV and visible light, each of the diarylethenes exhibited favorable photochromism and functioned as fluorescent switches in water. Experimental results showed that their water solubility as well as absorption features, cyclization quantum yields, photoconversion ratios, thermal stability, and fatigue resistance exhibited a strong correlation with the number of phenyl-bridged glucosyltriazolyl groups in diarylethene systems. The absorption maximum, thermal stability, and fatigue resistance were significantly improved, but the water solubility and fluorescent modulation efficiency were suppressed with the increase of the number of phenyl-bridged glucosyltriazolyl groups for these diarylethene derivatives. (C) 2013 Elsevier Ltd. All rights reserved.