2,5,7-triiodo-11,11-difluoro-1,6-methano<10>annulene | 131274-03-8

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: 2,5,7-triiodo-11,11-difluoro-1,6-methano<10>annulene
• 英文别名: 11,11-difluoro-2,5,7-triiodobicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
• CAS: 131274-03-8
• 化学式: C₁₁H₅F₂I₃
• 分子量: 555.871
• InChiKey: BMCPZGGAOLHWBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.46
• 重原子数：
  16.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  11,11-difluoro-1,6-methano<10>annulene 在 mercury(II) trifluoroacetate 、 一氯化碘 作用下， 生成 2,5,7-triiodo-11,11-difluoro-1,6-methano<10>annulene 、 2,5,7,10-tetraiodo-11,11-difluoro-1,6-methano<10>annulene
  参考文献：
  名称：

  Synthesis, structure and some properties of 2,5,7,10-tetraiodo-1,6-methano[10]annulene

  摘要：

  The title compound (1a) was prepared by a two-step procedure via an organomercurial. Both 1a and its 11,11-difluoro analogue are crystalline solids that were fully characterized. The tetraiodidle 1a is unusual in that the aromatic character of the pi periphery is almost destroyed as determined from ring current effects on the 11,11 hydrogen atoms. The crystal structure of 1a is reported and it bears out the ''localization'' of the pi electrons with a concomitant opening of the transannular bridge angle.

  DOI：

  10.1021/jo00003a012

文献信息

• STURM, K. D.;WUDL, F.;LEX, J., J. ORG. CHEM., 56,(1991) N, C. 957-960
  作者：STURM, K. D.、WUDL, F.、LEX, J.

  DOI：——

  日期：——