bis[4-(3,5-dichloro)pyridyl]methanol | 847446-20-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: bis[4-(3,5-dichloro)pyridyl]methanol
• 英文别名: bis(3,5-dichloro-4-pyridyl)methanol；Bis(3,5-dichloropyridin-4-yl)methanol；bis(3,5-dichloropyridin-4-yl)methanol
• CAS: 847446-20-2
• 化学式: C₁₁H₆Cl₄N₂O
• 分子量: 323.993
• InChiKey: TUMYRTBBRKDEIU-UHFFFAOYSA-N

物化性质

• 沸点：
  443.6±40.0 °C(Predicted)
• 密度：
  1.609±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  46
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  bis[4-(3,5-dichloro)pyridyl]methanol 在 sodium azide 、 sodium acetate 、 dinitrogen tetraoxide 、 三乙胺 作用下， 以 四氯化碳 、 乙醚 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 53.0h， 生成 bis[4-(3,5-dichloro)pyridyl]diazomethane
  参考文献：
  名称：

  Preparation of Sterically Congested Di(4-pyridyl)diazomethanes and Characterization of Triplet Carbenes from Them

  摘要：

  Di(4-pyridyl)diazomethanes having two and four ortho chlorine groups were prepared, and the triplet carbenes generated from them were characterized by ESR and UV/vis at low temperature and time-resolved UV/vis at room temperature. An appreciable increase in the stability of triplet carbenes is achieved by introducing ortho chlorine groups.

  DOI：

  10.1021/ol047467p
• 作为产物：
  描述：

  3,5-二氯吡啶 、 3,5-二氯吡啶-4-甲醛 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以91%的产率得到bis[4-(3,5-dichloro)pyridyl]methanol
  参考文献：
  名称：

  Preparation of Sterically Congested Di(4-pyridyl)diazomethanes and Characterization of Triplet Carbenes from Them

  摘要：

  Di(4-pyridyl)diazomethanes having two and four ortho chlorine groups were prepared, and the triplet carbenes generated from them were characterized by ESR and UV/vis at low temperature and time-resolved UV/vis at room temperature. An appreciable increase in the stability of triplet carbenes is achieved by introducing ortho chlorine groups.

  DOI：

  10.1021/ol047467p

文献信息

• A luminescent organic radical with two pyridyl groups: high photostability and dual stimuli-responsive properties, with theoretical analyses of photophysical processes
  作者：Shun Kimura、Akira Tanushi、Tetsuro Kusamoto、Shuntaro Kochi、Tohru Sato、Hiroshi Nishihara

  DOI：10.1039/c7sc04034b

  日期：——

  luminescent organic radical, the bis(3,5-dichloro-4-pyridyl)(2,4,6-trichlorophenyl)methyl radical (bisPyTM), containing two pyridyl groups on a tris(2,4,6-trichlorophenyl)methyl radical (TTM) skeleton. bisPyTM in dichloromethane exhibited fluorescence with an emission peak wavelength, λem, of 650 nm. We visually detected an emission (λem = 712 nm) from crystalline bisPyTM at 77 K, which is the first

  预期发光单自由基基于它们的双峰态将显示出独特的特性，其中建立一种提高其光稳定性的方法是扩大其光官能度的重要问题。我们合成了高度光稳定的发光有机自由基，即bis（3,5-dichloro-4-pyridyl）（2,4,6-三氯苯基）甲基（bisPyTM），在tris（2,4,6上包含两个吡啶基-三氯苯基）甲基自由基（TTM）骨架。bisPyTM在二氯甲烷展出荧光具有发光峰值波长，λ EM，为650纳米。我们在视觉上检测到的辐射（λ EM晶体bisPyTM在77 K时（= 712 nm），这是自由基中确定的固态发射的第一个例子。将两个氮原子引入TTM骨架可降低边界轨道的能量。理论上计算了bisPyTM和（3,5-dichloro-4-pyridyl）bis的最低激发态和基态之间电子跃迁的振子强度f以及非对角线振动耦合常数（VCC） （2,4,6-三氯苯基）甲基（PyBTM）。计算出的f或VCC
• Preparation of Sterically Congested Di(4-pyridyl)diazomethanes and Characterization of Triplet Carbenes from Them
  作者：Tetsuji Itoh、Akira Takada、Katsuyuki Hirai、Hideo Tomioka

  DOI：10.1021/ol047467p

  日期：2005.3.1

  Di(4-pyridyl)diazomethanes having two and four ortho chlorine groups were prepared, and the triplet carbenes generated from them were characterized by ESR and UV/vis at low temperature and time-resolved UV/vis at room temperature. An appreciable increase in the stability of triplet carbenes is achieved by introducing ortho chlorine groups.