13-endo-iodomethyl-tricyclo[6.4.1.0(2,7)]trideca-2(7),3,5-triene | 1246564-09-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 13-endo-iodomethyl-tricyclo[6.4.1.0(2,7)]trideca-2(7),3,5-triene
• CAS: 1246564-09-9
• 化学式: C₁₄H₁₇I
• 分子量: 312.193
• InChiKey: YXAGKRJOHPSJLR-WDNDVIMCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.49
• 重原子数：
  15.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 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：

  2-溴丙烯 、 13-endo-iodomethyl-tricyclo[6.4.1.0(2,7)]trideca-2(7),3,5-triene 在 lithium 、 copper(l) iodide 作用下， 以 乙醚 为溶剂， 反应 21.25h， 以62%的产率得到13-endo-(2-methyl-allyl)-tricyclo[6.4.1.0(2,7)]trideca-2(7),3,5-triene
  参考文献：
  名称：

  Bridged aromatic alkenes for the study of carbocation–π interaction

  摘要：

  Toward the goal of gaining further insight into carbocation-pi interactions, bridged-ring aromatic alkene model systems are being investigated in which one isomer will permit pi complexation of an intramolecular tertiary carbocation with a benzene ring, but the other isomer will not. The syntheses of three sets of such isomers, having, respectively, benzobicyclo[3.21]octene, benzobicyclo[2.2.1]heptene, and benzobicyclo[4.2.1]nonene structures, are described. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.04.029
• 作为产物：
  描述：

  tricyclo[6.4.1.0(2,7)]trideca-2(7),3,5-trien-13-endo-yl-methanol 在 咪唑 、 碘 、 三苯基膦 作用下， 以 乙醚 、 乙腈 为溶剂， 以72%的产率得到13-endo-iodomethyl-tricyclo[6.4.1.0(2,7)]trideca-2(7),3,5-triene
  参考文献：
  名称：

  Bridged aromatic alkenes for the study of carbocation–π interaction

  摘要：

  Toward the goal of gaining further insight into carbocation-pi interactions, bridged-ring aromatic alkene model systems are being investigated in which one isomer will permit pi complexation of an intramolecular tertiary carbocation with a benzene ring, but the other isomer will not. The syntheses of three sets of such isomers, having, respectively, benzobicyclo[3.21]octene, benzobicyclo[2.2.1]heptene, and benzobicyclo[4.2.1]nonene structures, are described. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.04.029