(S)-N-methyl-3-hydroxyquinuclidinium iodide | 93673-51-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 奎宁环
• 英文名称: (S)-N-methyl-3-hydroxyquinuclidinium iodide
• 英文别名: S-(+)-3-quinuclidinol iodomethylate；(S)-N-methyl-3-quinuclidinoliodide；(3S)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-ol;iodide
• CAS: 93673-51-9
• 化学式: C₈H₁₆NO*I
• 分子量: 269.126
• InChiKey: AELSXPWQTLXHOI-NHLJRWNWSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.78
• 重原子数：
  11.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.23
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  (S)-N-methyl-3-hydroxyquinuclidinium iodide 在 sodium hydroxide 作用下， 以 水 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Esikova, I. A.; Serebryakov, E. P., Bulletin of the Academy of Sciences of the USSR Division of Chemical Science, 1989, vol. 38, # 8.2, p. 1682 - 1690

  摘要：

  DOI：
• 作为产物：
  描述：

  (S)-3-benzoyloxy-1-methylquinuclidium iodide 在 horse serum butyrylcholinesterase (BChE) 作用下， 以 水 为溶剂， 生成 (S)-N-methyl-3-hydroxyquinuclidinium iodide 、 苯甲酸
  参考文献：
  名称：

  Primozic, Ines; Hrenar, Tomica; Tomic, Srdanka, European Journal of Organic Chemistry, 2003, # 2, p. 295 - 301

  摘要：

  DOI：

文献信息

• Homochiral Nickel Nitrite ABX₃ (X = NO₂^–) Perovskite Ferroelectrics
  作者：Bin-Bin Deng、Chu-Chu Xu、Ting-Ting Cheng、Yi-Ting Yang、Yan-Ting Hu、Pan Wang、Wen-Hui He、Meng-Juan Yang、Wei-Qiang Liao

  DOI：10.1021/jacs.0c02580

  日期：2020.4.15

  Chiral organic-inorganic perovskites (COIPs) have recently attracted increasing interest due to their unique inherent chirality and potential applications in next-generation optoelectronic and spintronic devices. However, COIP ferroelectrics are very sparse. In this work, for the first time, we present the nickel-nitrite ABX(3) COIP ferroelectrics, [(R and S)-N-fluoromethyl-3-quinuclidinol]Ni(NO2)(3) ([(R and S)-FMQ]Ni(NO2)(3)), where the X-site is the rarely seen NO2- bridging ligand. [(R and S)-FMQ]Ni(NO2)(3) display mirror-relationship in the crystal structure and vibrational circular dichroism signal. It is emphasized that [(R and S)-FMQ]Ni(NO2)(3) show splendid ferroelectricity with both an extremely high phase-transition point of 405 K and a spontaneous polarization of 12 mu C/cm(2). To our knowledge, [(R and S)-FMQ]Ni(NO2)(3) are the first examples of nickel-nitrite based COIP ferroelectrics. This finding expands the COIP family and throws light on exploration of high-performance COIP ferroelectrics.