anti-endo-10,17-epoxy-4b,8b,18b,18d-tetramethyl-4b,8b,10,10a,11,16,16a,17,18b,18d-decahydrobenzo[5,6]-indeno[1',2',3':3,4]pentaleno[1,2-b]tetracene-11,16-dione | 1354952-60-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 并四苯
• 英文名称: anti-endo-10,17-epoxy-4b,8b,18b,18d-tetramethyl-4b,8b,10,10a,11,16,16a,17,18b,18d-decahydrobenzo[5,6]-indeno[1',2',3':3,4]pentaleno[1,2-b]tetracene-11,16-dione
• CAS: 1354952-60-5
• 化学式: C₃₈H₃₀O₃
• 分子量: 534.654
• InChiKey: LGPQQLCVDXDRND-JCMGWGFMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.39
• 重原子数：
  41.0
• 可旋转键数：
  0.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  2-bromo-3-hydroxy-4b,8b,12b,12d-tetramethyl-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene 在 吡啶 、 正丁基锂 、 3,6-二-2-吡啶基-1,2,4,5-四嗪 作用下， 以 四氢呋喃 、 二氯甲烷 、 甲苯 为溶剂， 反应 1.33h， 生成 syn-endo-10,17-epoxy-4b,8b,18b,18d-tetramethyl-4b,8b,10,10a,11,16,16a,17,18b,18d-decahydrobenzo[5,6]-indeno[1',2',3':3,4]pentaleno[1,2-b]tetracene-11,16-dione 、 anti-endo-10,17-epoxy-4b,8b,18b,18d-tetramethyl-4b,8b,10,10a,11,16,16a,17,18b,18d-decahydrobenzo[5,6]-indeno[1',2',3':3,4]pentaleno[1,2-b]tetracene-11,16-dione
  参考文献：
  名称：

  Single-wing Extended Tribenzotriquinacenes via Bowl-shaped Dehydrobenzene and Isobenzofuran Tribenzotriquinacene Derivatives

  摘要：

  Monoaryne and monoisobenzofuran analogues of a C-3v-symmetrical tribenzotriquinacene (TBTQ) were generated in situ and trapped with various dienes and dienophiles, respectively. In this way, a series of single-wing extended TBTQ derivatives bearing the bowl-shaped TBTQ unit in different topographical expositions have become accessible. This includes some novel tribenzotriquinacene "dimers", in which two TBTQ bowls are attached in syn- or anti-orientation at the terminal positions of rigid linker units. Several of these compounds have been characterized by both spectroscopy and X-ray structural analysis. The efficient access to the TBTQ "dimers" studies of novel container compounds and supramolecular architectures.

  DOI：

  10.1021/jo2022668