Tridecacyclo[34.4.3.36,11.316,21.326,31.01,36.02,35.05,12.06,11.015,22.016,21.025,32.026,31]dopentaconta-2(35),5(12),7,9,15(22),17,19,25(32),27,29,37,39-dodecaen-3,13,23,33-tetrayne | 183152-50-3

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: Tridecacyclo[34.4.3.36,11.316,21.326,31.01,36.02,35.05,12.06,11.015,22.016,21.025,32.026,31]dopentaconta-2(35),5(12),7,9,15(22),17,19,25(32),27,29,37,39-dodecaen-3,13,23,33-tetrayne
• 英文别名: tridecacyclo[34.4.3.36,11.316,21.326,31.01,36.02,35.05,12.06,11.015,22.016,21.025,32.026,31]dopentaconta-2(35),5(12),7,9,15(22),17,19,25(32),27,29,37,39-dodecaen-3,13,23,33-tetrayne
• CAS: 183152-50-3
• 化学式: C₅₂H₄₀
• 分子量: 664.89
• InChiKey: ZZCQHWKJBXECCS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.7
• 重原子数：
  52
• 可旋转键数：
  0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  呋喃 、 Tridecacyclo[34.4.3.36,11.316,21.326,31.01,36.02,35.05,12.06,11.015,22.016,21.025,32.026,31]dopentaconta-2(35),5(12),7,9,15(22),17,19,25(32),27,29,37,39-dodecaen-3,13,23,33-tetrayne 反应 32.0h， 以31%的产率得到42-Oxadodecacyclo[32.4.3.36,11.316,21.126,29.01,34.02,33.05,12.06,11.015,22.016,21.025,30]octatetraconta-2(33),5(12),7,9,15(22),17,19,25(30),27,35,37-undecaen-3,13,23,31-tetrayne
  参考文献：
  名称：

  [2 + 2] [4.3.2]Propella-1,3,11-trienes 的Cycloreversion：从Propellane-Annelated Dehydro[n]annulenes 获得环[n]碳的方法

  摘要：

  作为一种从稳定的前体生成具有高反应性聚炔单元的全碳分子的方法，开发了 [4.3.2]propella-1,3,11-triene 衍生物的 [2 + 2] 环回复。为了测试该方法的效率，该反应首先应用于简单的二乙炔基和二丁二炔基取代的丙炔三烯，它们分别在紫外线照射下产生线性己三炔和十戊炔衍生物。接下来，制备了由 [4.3.2] 丙炔三烯单元退火的脱氢 [12]-、[16]-、[18]-、[20]- 和 [24] 环烯衍生物作为相应环 [n] 的前体碳，碳簇的单环形式。脱氢环烯的激光解吸质谱在负模式下表现出由于相应的环 [n] 碳阴离子（n = 12, 16, 18, 20, 和 24) 由芳香族茚满碎片的连续损失形成。脱氢[16]环烯和脱氢[18]环烯衍生物的溶液光解通过[2+2]环还原反应形成反应性聚炔中间体...

  DOI：

  10.1021/ja993314z
• 作为产物：
  描述：

  11,12-dichloro[4.3.2]propellan-1-one 在 四(三苯基膦)钯 、 苄基三乙基氯化铵 sodium hydroxide 、 sodium tetrahydroborate 、 copper(l) iodide 、 cerium(III) chloride 、 5,5-二溴-2,2-二甲基-4,6-二酮-1,3-二氧杂环己烷 、 lithium carbonate 、 正丁胺 、 lithium bromide 、 1,3-dinitro-5-benzenesulfenylchloride 作用下， 以 四氢呋喃 、 苯 为溶剂， 生成 Tridecacyclo[34.4.3.36,11.316,21.326,31.01,36.02,35.05,12.06,11.015,22.016,21.025,32.026,31]dopentaconta-2(35),5(12),7,9,15(22),17,19,25(32),27,29,37,39-dodecaen-3,13,23,33-tetrayne
  参考文献：
  名称：

  Tobe, Yoshito; Matsumoto, Hideki; Naemura, Koichiro, Angewandte Chemie, 1996, vol. 108, # 16, p. 1924 - 1926

  摘要：

  DOI：

文献信息

• Photoelectron spectroscopy of Cn− produced from laser ablated dehydroannulene derivatives having carbon ring size of n=12, 16, 18, 20, and 24
  作者：Tomonari Wakabayashi、Masamichi Kohno、Yohji Achiba、Haruo Shiromaru、Takamasa Momose、Tadamasa Shida、Koichiro Naemura、Yoshito Tobe

  DOI：10.1063/1.474841

  日期：1997.10

  n -Dehydroannulenes with the ring size of n=12, 16, 18, 20, and 24 and with three to five indanyl substituents are laser ablated by 355 nm photons. The indanyl unit is lost stepwise up to the complete deletion to leave the bare annulenyl skeleton. The monoanions of these products are mass analyzed first, and then subjected to a second laser pulse of 266 nm to obtain photoelectron spectra for Cn− with n=12, 16, 18, 20, and 24. The spectra are compared with those obtained by using graphite as a target of the laser ablation. The comparison of the two spectra provides useful information on the structure of neutral carbon clusters.