([2,2'-bipyridine]-6,6'-diyl-d6)bis(methan-d2-ol) | 1252677-01-2

• 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: ([2,2'-bipyridine]-6,6'-diyl-d6)bis(methan-d2-ol)
• CAS: 1252677-01-2
• 化学式: C₁₂H₁₂N₂O₂
• 分子量: 226.16
• InChiKey: AQXWTRNMAUTZNP-WHUVPORUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.13
• 重原子数：
  16.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  66.24
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  ([2,2'-bipyridine]-6,6'-diyl-d6)bis(methan-d2-ol) 在 三溴化磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 以98%的产率得到[D10]-6,6'-bis(bromomethyl)-2,2'-bipyridine-N,N-dioxide
  参考文献：
  名称：

  Quantification of C−H Quenching in Near-IR Luminescent Ytterbium and Neodymium Cryptates

  摘要：

  Two series of selectively deuterated cryptates with the lanthanoids Yb and Nd have been synthesized, and the luminescence lifetimes for the corresponding near-IR emission bands have been measured. Global fitting of these lifetime data combined with structural analysis allows for the accurate quantification of the contributions of individual C-H oscillators groups in the ligand to the nonradiative deactivation rates of the emissive lanthanoid states.

  DOI：

  10.1021/ja105768w
• 作为产物：
  描述：

  在 乙醇 、 potassium carbonate 作用下， 反应 1.0h， 以61%的产率得到([2,2'-bipyridine]-6,6'-diyl-d6)bis(methan-d2-ol)
  参考文献：
  名称：

  Quantification of C−H Quenching in Near-IR Luminescent Ytterbium and Neodymium Cryptates

  摘要：

  Two series of selectively deuterated cryptates with the lanthanoids Yb and Nd have been synthesized, and the luminescence lifetimes for the corresponding near-IR emission bands have been measured. Global fitting of these lifetime data combined with structural analysis allows for the accurate quantification of the contributions of individual C-H oscillators groups in the ligand to the nonradiative deactivation rates of the emissive lanthanoid states.

  DOI：

  10.1021/ja105768w