3,6-Diethynyl-9,9-dihexylfluorene | 532385-10-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 3,6-Diethynyl-9,9-dihexylfluorene
• 英文别名: 3,6-diethynyl-9,9-dihexylfluorene
• CAS: 532385-10-7
• 化学式: C₂₉H₃₄
• 分子量: 382.589
• InChiKey: ALVILPOSCDUPOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.3
• 重原子数：
  29
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  2-(叠氮基甲基)吡啶 、 3,6-Diethynyl-9,9-dihexylfluorene 在 copper(ll) sulfate pentahydrate 、 sodium ascorbate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 12.0h， 以94%的产率得到2,2'-(((9,9-dihexyl-9H-fluorene-3,6-diyl)bis(1H-1,2,3-triazole-4,1-diyl))bis(methylene))dipyridine
  参考文献：
  名称：

  Synthesis of Click-Chelator via Cu(I)-Catalyzed Alkyne-Azide Cycloaddition

  摘要：

  AbstractThe click‐ligands based on 1,2,3‐triazole and pyridine unit has been synthesized via Cu(I)‐catalyzed alkyne‐azide cycloaddition from corresponding organic azides and terminal alkynes. The ligand structure was characterized by NMR, IR and elemental analysis as well as single crystal diffractions. The single crystal structure of the complexes from two different ligands coordinating to Cu(II) and Co(II) ions indicated that the N(2) atom in 1,2,3‐triazole unit can act as an efficient donor to metals through the rational molecular design.

  DOI：

  10.1002/cjoc.201090368
• 作为产物：
  描述：

  三甲基乙炔基硅 、 alkaline earth salt of/the/ methylsulfuric acid 在 Pd⁽⁰⁾ catalyst 作用下， 生成 3,6-Diethynyl-9,9-dihexylfluorene
  参考文献：
  名称：

  Synthesis of Click-Chelator via Cu(I)-Catalyzed Alkyne-Azide Cycloaddition

  摘要：

  AbstractThe click‐ligands based on 1,2,3‐triazole and pyridine unit has been synthesized via Cu(I)‐catalyzed alkyne‐azide cycloaddition from corresponding organic azides and terminal alkynes. The ligand structure was characterized by NMR, IR and elemental analysis as well as single crystal diffractions. The single crystal structure of the complexes from two different ligands coordinating to Cu(II) and Co(II) ions indicated that the N(2) atom in 1,2,3‐triazole unit can act as an efficient donor to metals through the rational molecular design.

  DOI：

  10.1002/cjoc.201090368

文献信息

• Synthesis of Click-Chelator via Cu(I)-Catalyzed Alkyne-Azide Cycloaddition
  作者：Yang Fu、Yan Liu、Xiaoping Fu、Li Zou、Hua Li、Ming Li、Xingguo Chen、Jingui Qin

  DOI：10.1002/cjoc.201090368

  日期：2010.11

  AbstractThe click‐ligands based on 1,2,3‐triazole and pyridine unit has been synthesized via Cu(I)‐catalyzed alkyne‐azide cycloaddition from corresponding organic azides and terminal alkynes. The ligand structure was characterized by NMR, IR and elemental analysis as well as single crystal diffractions. The single crystal structure of the complexes from two different ligands coordinating to Cu(II) and Co(II) ions indicated that the N(2) atom in 1,2,3‐triazole unit can act as an efficient donor to metals through the rational molecular design.