9,25,38-Trithiadecacyclo[15.15.11.24,7.211,14.220,23.227,30.233,36.240,43.13,31.115,19]heptapentaconta-1(32),2,4,6,11,13,15,17,19(53),20(52),21,23(51),27(50),28,30(49),31(48),33(47),34,36(46),40(45),41,43,54,56-tetracosaene | 42837-43-4

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 9,25,38-Trithiadecacyclo[15.15.11.24,7.211,14.220,23.227,30.233,36.240,43.13,31.115,19]heptapentaconta-1(32),2,4,6,11,13,15,17,19(53),20(52),21,23(51),27(50),28,30(49),31(48),33(47),34,36(46),40(45),41,43,54,56-tetracosaene
• CAS: 42837-43-4
• 化学式: C₅₄H₄₂S₃
• 分子量: 787.125
• InChiKey: YCMVKKPZYBHVRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.7
• 重原子数：
  57
• 可旋转键数：
  0
• 环数：
  29.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  75.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  9,25,38-Trithiadecacyclo[15.15.11.24,7.211,14.220,23.227,30.233,36.240,43.13,31.115,19]heptapentaconta-1(32),2,4,6,11,13,15,17,19(53),20(52),21,23(51),27(50),28,30(49),31(48),33(47),34,36(46),40(45),41,43,54,56-tetracosaene 、 氟磺酸甲酯 以96%的产率得到
  参考文献：
  名称：

  HOHNER G.; VOEGTLE F., CHEM. BER. , 1977, 110, NO 9, 3052-3077

  摘要：

  DOI：

文献信息

• SYNTHESIS OF CYCLOPHANES FROM A SELF-ASSEMBLY REACTION
  申请人：University of Oregon

  公开号：US20160137598A1

  公开（公告）日：2016-05-19

  Disclosed herein is a novel method for preparing cyclophanes, comprising forming a disulfide cyclophane by contacting a linker moiety which includes two or more thiol groups, with a metal salt and an oxidant. The disulfide cyclophane is then desulfurized to form a thiacyclophane comprising thioether bridges. This thiacyclophane optionally may be further desulfurized to form an unsaturated hydrocarbon cyclophane, which can then be reduced to form a saturated hydrocarbon cyclophane. The various cyclophanes can be synthesized in a ring form, such as a dimer, trimer or tetramer etc., or they can be synthesized in a tetrahedral or larger structure. Also disclosed are novel cyclophanes formed by the disclosed method.

  本文揭示了一种制备环戊烷的新方法，包括通过将含有两个或更多硫醚基团的连接剂与金属盐和氧化剂接触来形成二硫化环戊烷。然后对二硫化环戊烷进行脱硫作用，形成含有硫醚桥的硫代环戊烷。这种硫代环戊烷可以选择性地进一步脱硫，形成不饱和碳氢化合物环戊烷，然后可以还原为饱和碳氢化合物环戊烷。这些不同的环戊烷可以以环形形式合成，如二聚体、三聚体或四聚体等，或者它们可以以四面体或更大的结构合成。此外，还披露了通过上述方法形成的新型环戊烷。