4-[2-[2-甲基-3-(2-吡啶-4-基乙炔基)苯基]乙炔基]吡啶 | 865756-45-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-[2-[2-甲基-3-(2-吡啶-4-基乙炔基)苯基]乙炔基]吡啶
• 中文别名: 2,6-双(4-吡啶基乙炔基)甲苯
• 英文名称: 2,6-bis(4-pyridylethynyl)toluene
• 英文别名: 4-[2-[2-methyl-3-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine
• CAS: 865756-45-2
• 化学式: C₂₁H₁₄N₂
• 分子量: 294.356
• InChiKey: XZBXDOGIIUDHHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-[2-[2-甲基-3-(2-吡啶-4-基乙炔基)苯基]乙炔基]吡啶 、 palladium (II) nitrate 以 氘代二甲亚砜 为溶剂， 生成
  参考文献：
  名称：

  24-Fold Endohedral Functionalization of a Self-Assembled M₁₂L₂₄ Coordination Nanoball

  摘要：

  A ca. 5 nm-sized, roughly spherical hollow complex was assembled from 12 Pd2+ ions and 24 bis(4-pyridylethenyl)-substituted bent ligands. By putting a functional group at the curvature of the ligand, the 24 functional groups were precisely arrayed inward within the spherical complex. When oligo(ethylene oxide) was anchored, the void of the hollow complex was tightly filled with a pseudo poly(ethylene oxide) nanoparticle, which showed metal ion (La3+) absorption property.

  DOI：

  10.1021/ja054069o
• 作为产物：
  描述：

  2,6-二溴甲苯 、 4-ethynylpyridine hydrochloride 在 copper(l) iodide 二(氰基苯)二氯化钯 、 三叔丁基膦 、 二异丙胺 作用下， 以 1,4-二氧六环 、 正己烷 为溶剂， 反应 17.0h， 以81%的产率得到4-[2-[2-甲基-3-(2-吡啶-4-基乙炔基)苯基]乙炔基]吡啶
  参考文献：
  名称：

  24-Fold Endohedral Functionalization of a Self-Assembled M₁₂L₂₄ Coordination Nanoball

  摘要：

  A ca. 5 nm-sized, roughly spherical hollow complex was assembled from 12 Pd2+ ions and 24 bis(4-pyridylethenyl)-substituted bent ligands. By putting a functional group at the curvature of the ligand, the 24 functional groups were precisely arrayed inward within the spherical complex. When oligo(ethylene oxide) was anchored, the void of the hollow complex was tightly filled with a pseudo poly(ethylene oxide) nanoparticle, which showed metal ion (La3+) absorption property.

  DOI：

  10.1021/ja054069o