5,22-Ditert-butyl-13,14-dimethyl-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11(16),12,14,19(24),20,22-undecaene | 1293965-79-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并呋喃类
• 英文名称: 5,22-Ditert-butyl-13,14-dimethyl-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11(16),12,14,19(24),20,22-undecaene
• CAS: 1293965-79-3
• 化学式: C₃₂H₃₂O₂
• 分子量: 448.605
• InChiKey: HRHWTOOUROIIFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.7
• 重原子数：
  34
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-(叔丁基)-2-碘苯酚 在 吡啶 、 iron(III) chloride 、 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 四丁基氟化铵 、 溶剂黄146 、 三乙胺 、 三苯基膦 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 硝基甲烷 、 二氯甲烷 为溶剂， 反应 55.0h， 生成 5,22-Ditert-butyl-13,14-dimethyl-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11(16),12,14,19(24),20,22-undecaene
  参考文献：
  名称：

  Tribenzotriquinacenes Bearing Six-Fold Benzofuran Extensions: Electron-RichC_3v-Symmetrical Hosts for C₆₀

  摘要：

  New tribenzotriquinacene (TBTQ) hosts bearing six-fold peripheral benzofuran functionalization have been synthesized. The three polycondensed arene wings were shown to operate optically independently and to generate deeply bowl-shaped C-3v-symmetrical frameworks that act as relatively weak hosts toward C-60, as revealed by H-1 NMR spectroscopy.

  DOI：

  10.1021/jo2000918

文献信息

• Tribenzotriquinacenes Bearing Six-Fold Benzofuran Extensions: Electron-Rich<i>C</i>_3<i>v</i>-Symmetrical Hosts for C₆₀
  作者：Tao Wang、Zi-Yang Li、An-Le Xie、Xiao-Jun Yao、Xiao-Ping Cao、Dietmar Kuck

  DOI：10.1021/jo2000918

  日期：2011.5.6

  New tribenzotriquinacene (TBTQ) hosts bearing six-fold peripheral benzofuran functionalization have been synthesized. The three polycondensed arene wings were shown to operate optically independently and to generate deeply bowl-shaped C-3v-symmetrical frameworks that act as relatively weak hosts toward C-60, as revealed by H-1 NMR spectroscopy.