2,6,2'',6''-Tetrakis-bromomethyl-2'-iodo-[1,1';3',1'']terphenyl | 172746-82-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,6,2'',6''-Tetrakis-bromomethyl-2'-iodo-[1,1';3',1'']terphenyl
• CAS: 172746-82-6
• 化学式: C₂₂H₁₇Br₄I
• 分子量: 727.897
• InChiKey: WOSXINGACLWWFB-UHFFFAOYSA-N

物化性质

• 沸点：
  672.1±55.0 °C(Predicted)
• 密度：
  2.021±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  27.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  3-[[25,29,33,37-Tetrahexyl-12,18,39-tris[(3-hydroxyphenyl)methoxy]-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaen-6-yl]oxymethyl]phenol 、 2,6,2'',6''-Tetrakis-bromomethyl-2'-iodo-[1,1';3',1'']terphenyl 在 potassium carbonate 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 以14%的产率得到
  参考文献：
  名称：

  Synthesis of novel lantern-shaped molecules based on resorcin[4]arene and m-terphenyl units

  摘要：

  Novel lantern-shaped molecules with a large enclosure were synthesized by taking advantage of resorcin[4]arene and m-terphenyl units as the capping and bottom fragments, respectively. Two conformers with different cavity volume were obtained selectively by changing the substituent on the bottom unit.

  DOI：

  10.1016/0040-4039(95)01610-t
• 作为产物：
  描述：

  1,3-bis(2,6-dimethylphenyl)-2-iodobenzene 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 四氯化碳 为溶剂， 以8%的产率得到2,6,2'',6''-Tetrakis-bromomethyl-2'-iodo-[1,1';3',1'']terphenyl
  参考文献：
  名称：

  Synthesis of novel lantern-shaped molecules based on resorcin[4]arene and m-terphenyl units

  摘要：

  Novel lantern-shaped molecules with a large enclosure were synthesized by taking advantage of resorcin[4]arene and m-terphenyl units as the capping and bottom fragments, respectively. Two conformers with different cavity volume were obtained selectively by changing the substituent on the bottom unit.

  DOI：

  10.1016/0040-4039(95)01610-t