Tetraethyl tritriacontacyclo[10.7.7.62,4.46,7.313,15.317,19.23,20.29,11.210,26.222,24.15,8.014,25.016,23.018,21.734,41.229,43.130,31.138,39.027,46.028,42.029,46.032,45.033,59.035,36.037,53.040,49.044,62.048,56.050,52.050,57.052,61.054,58.055,60]dohexaconta-1,3,5,7,9,11(39),12(26),13,15,17(35),18,20,22,24,27,30(62),31,33,36,38(61),40(49),41(48),42,44,53,55(60),56,58-octacosaene-47,47,51,51-tetracarboxylate | 155382-66-4

• 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: Tetraethyl tritriacontacyclo[10.7.7.62,4.46,7.313,15.317,19.23,20.29,11.210,26.222,24.15,8.014,25.016,23.018,21.734,41.229,43.130,31.138,39.027,46.028,42.029,46.032,45.033,59.035,36.037,53.040,49.044,62.048,56.050,52.050,57.052,61.054,58.055,60]dohexaconta-1,3,5,7,9,11(39),12(26),13,15,17(35),18,20,22,24,27,30(62),31,33,36,38(61),40(49),41(48),42,44,53,55(60),56,58-octacosaene-47,47,51,51-tetracarboxylate
• CAS: 155382-66-4
• 化学式: C₇₄H₂₀O₈
• 分子量: 1036.97
• InChiKey: YCZNVECWMGNXGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.5
• 重原子数：
  82
• 可旋转键数：
  12
• 环数：
  34.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  Tetraethyl tritriacontacyclo[10.7.7.62,4.46,7.313,15.317,19.23,20.29,11.210,26.222,24.15,8.014,25.016,23.018,21.734,41.229,43.130,31.138,39.027,46.028,42.029,46.032,45.033,59.035,36.037,53.040,49.044,62.048,56.050,52.050,57.052,61.054,58.055,60]dohexaconta-1,3,5,7,9,11(39),12(26),13,15,17(35),18,20,22,24,27,30(62),31,33,36,38(61),40(49),41(48),42,44,53,55(60),56,58-octacosaene-47,47,51,51-tetracarboxylate 在 CHIRALPAK AD 作用下， 以 正己烷 、 异丙醇 为溶剂， 生成 、
  参考文献：
  名称：

  Systematic Enantiomeric Separation of [60]Fullerene Bisadducts Possessing an Inherent Chiral Addition Pattern

  摘要：

  The optical resolution of trans-2 and trans-3 [60]fullerene bisadducts with an inherent chiral addition pattern, modified by Bingel reaction, cycloaddition by benzyne, Prato reaction, and cycloaddition by o-quinodimethane, was systematically investigated by using chiral HPLC columns (Chiralcel OD and Chiralpak AD). The chiroptical properties of enantiomers separated were also examined.

  DOI：

  10.1021/jo026657f
• 作为产物：
  描述：

  、 溴代丙二酸二乙酯 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 bis(ethoxycarbonyl)methanofullerene 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 10.0h， 生成 (+/-)-tetraethyl 1,2:33,50-bis(methano)[60]fullerene-61,61,62,62-tetracarboxylate 、 、 Tetraethyl tritriacontacyclo[10.7.7.62,4.46,7.313,15.317,19.23,20.29,11.210,26.222,24.15,8.014,25.016,23.018,21.734,41.229,43.130,31.138,39.027,46.028,42.029,46.032,45.033,59.035,36.037,53.040,49.044,62.048,56.050,52.050,57.052,61.054,58.055,60]dohexaconta-1,3,5,7,9,11(39),12(26),13,15,17(35),18,20,22,24,27,30(62),31,33,36,38(61),40(49),41(48),42,44,53,55(60),56,58-octacosaene-47,47,51,51-tetracarboxylate
  参考文献：
  名称：

  凹凸 π-π 模板方法可合成 [10] 环对亚苯基-富勒烯 [2] 轮烷

  摘要：

  环对亚苯基 (CPP) 是一类紧张的大环化合物，直到 2008 年才被认为是有机合成无法实现的。凭借其十个对位取代亚苯基环的环状阵列，[10]CPP 具有凹 π 系统，该系统完美地预先组织为凸富勒烯（如 C60）的强超分子缔合。尽管已在气相中观察到机械互锁的 CPP 结构，但尚未实现批量的合理合成，这可能是由于常规模板策略不适用于缺乏杂原子的 CPP 环。在这里，我们报告了两种 [2] 轮烷的合成，其中 [10]CPP 环与中心富勒烯双加合物结合，并且由于存在两个庞大的富勒烯六加合物塞子而防止脱螺纹。轮烷合成的最后一步非常有效（产率高达约 40%）和区域选择性，因为富勒烯充当有效的凸模板，而 [10]CPP 充当超分子导向基团，控制中心富勒烯的反应专门针对两个反式区域异构体。综合物理化学研究证实了互锁结构，阐明了 CPP-富勒烯相互作用的动态性质，并揭示了机械键对电荷转移过程的有趣结果。鉴

  DOI：

  10.1021/jacs.8b08244

文献信息

• 2,6-Dimethoxyanthracene — a directing group for regioselective bisaddition to C60
  作者：Stephen R. Wilson、Qing Lu

  DOI：10.1016/0040-4039(95)01111-t

  日期：1995.8
• Djojo, Francis; Hirsch, Andreas; Grimme, Stefan, European Journal of Organic Chemistry, 1999, # 11, p. 3027 - 3039
  作者：Djojo, Francis、Hirsch, Andreas、Grimme, Stefan

  DOI：——

  日期：——
• Hirsch, Andreas; Lamparth, Iris; Karfunkel, Heinrich R., Angewandte Chemie, 1994, vol. 106, # 4, p. 453 - 455
  作者：Hirsch, Andreas、Lamparth, Iris、Karfunkel, Heinrich R.

  DOI：——

  日期：——
• Concave–Convex π–π Template Approach Enables the Synthesis of [10]Cycloparaphenylene–Fullerene [2]Rotaxanes
  作者：Youzhi Xu、Ramandeep Kaur、Bingzhe Wang、Martin B. Minameyer、Sebastian Gsänger、Bernd Meyer、Thomas Drewello、Dirk M. Guldi、Max von Delius

  DOI：10.1021/jacs.8b08244

  日期：2018.10.17

  strategies are not amenable to CPP rings that lack heteroatoms. Here, we report the synthesis of two [2]rotaxanes in which a [10]CPP ring binds to a central fullerene bis-adduct and is prevented from dethreading by the presence of two bulky fullerene hexakis-adduct stoppers. The final step in the rotaxane synthesis is surprisingly efficient (up to ca. 40% yield) and regioselective because the fullerene

  环对亚苯基 (CPP) 是一类紧张的大环化合物，直到 2008 年才被认为是有机合成无法实现的。凭借其十个对位取代亚苯基环的环状阵列，[10]CPP 具有凹 π 系统，该系统完美地预先组织为凸富勒烯（如 C60）的强超分子缔合。尽管已在气相中观察到机械互锁的 CPP 结构，但尚未实现批量的合理合成，这可能是由于常规模板策略不适用于缺乏杂原子的 CPP 环。在这里，我们报告了两种 [2] 轮烷的合成，其中 [10]CPP 环与中心富勒烯双加合物结合，并且由于存在两个庞大的富勒烯六加合物塞子而防止脱螺纹。轮烷合成的最后一步非常有效（产率高达约 40%）和区域选择性，因为富勒烯充当有效的凸模板，而 [10]CPP 充当超分子导向基团，控制中心富勒烯的反应专门针对两个反式区域异构体。综合物理化学研究证实了互锁结构，阐明了 CPP-富勒烯相互作用的动态性质，并揭示了机械键对电荷转移过程的有趣结果。鉴
• Systematic Enantiomeric Separation of [60]Fullerene Bisadducts Possessing an Inherent Chiral Addition Pattern
  作者：Yosuke Nakamura、Kyoji O-kawa、Tatsuya Nishimura、Eiji Yashima、Jun Nishimura

  DOI：10.1021/jo026657f

  日期：2003.4.1

  The optical resolution of trans-2 and trans-3 [60]fullerene bisadducts with an inherent chiral addition pattern, modified by Bingel reaction, cycloaddition by benzyne, Prato reaction, and cycloaddition by o-quinodimethane, was systematically investigated by using chiral HPLC columns (Chiralcel OD and Chiralpak AD). The chiroptical properties of enantiomers separated were also examined.