2,5-diiodo-2,4-hexadiene | 88635-79-4

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 英文名称: 2,5-diiodo-2,4-hexadiene
• 英文别名: 2,5-Diiodohexa-2,4-diene；2,5-diiodohexa-2,4-diene
• CAS: 88635-79-4
• 化学式: C₆H₈I₂
• 分子量: 333.939
• InChiKey: KEBKRKULHKZFTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 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：

  (2E,4E)-2,5-dilithio-2,4-hexadiene 、 2,5-diiodo-2,4-hexadiene 、 二碘(苯基)铋(III) 以 乙醚 、 正己烷 为溶剂， 以80%的产率得到1-phenyl-2,5-dimethylbismole
  参考文献：
  名称：

  有机铋化合物中的次级键。2,2'，5,5'-四甲基-1,1'-二双二茂铁和2,2'，5,5'-四甲基双铋的结构比较

  摘要：

  The reaction of 1-phenyl-2,5-dimethylbismole (5) with lithium in THF followed by FeCl2 gave red-black crystals of 2,2',5,5'-tetramethyl-1,1'-dibismaferrocene (3), while the reaction of 5 with sodium in liquid ammonia followed by 1,2-dichloroethane gave green crystals of 2,2',5,5'-tetramethylbibismole (4). Single-crystal X-ray diffraction studies show that 3 adopts a ferrocene-like arrangement with a close (3.688 (1) angstrom) inter-ring Bi...Bi contact, while 4 has a zigzag chain of Bi atoms with close intermolecular contacts of 3.6595 (5) angstrom.

  DOI：

  10.1021/om00044a003

文献信息

• Secondary bonding in organobismuth compounds. Comparison of the structures of 2,2',5,5'-tetramethyl-1,1'-dibismaferrocene and 2,2',5,5'-tetramethylbibismole
  作者：Arthur J. Ashe、Jeff W. Kampf、Dhananjay B. Puranik、Samir M. Al-Taweel

  DOI：10.1021/om00044a003

  日期：1992.8

  The reaction of 1-phenyl-2,5-dimethylbismole (5) with lithium in THF followed by FeCl2 gave red-black crystals of 2,2',5,5'-tetramethyl-1,1'-dibismaferrocene (3), while the reaction of 5 with sodium in liquid ammonia followed by 1,2-dichloroethane gave green crystals of 2,2',5,5'-tetramethylbibismole (4). Single-crystal X-ray diffraction studies show that 3 adopts a ferrocene-like arrangement with a close (3.688 (1) angstrom) inter-ring Bi...Bi contact, while 4 has a zigzag chain of Bi atoms with close intermolecular contacts of 3.6595 (5) angstrom.