1,6,18,23-Tetrazanonacyclo[21.11.1.16,18.02,21.05,20.08,17.09,14.024,33.027,32]hexatriaconta-2(21),3,5(20),8(17),9,11,13,15,24(33),25,27,29,31-tridecaene | 1071520-02-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 1,6,18,23-Tetrazanonacyclo[21.11.1.16,18.02,21.05,20.08,17.09,14.024,33.027,32]hexatriaconta-2(21),3,5(20),8(17),9,11,13,15,24(33),25,27,29,31-tridecaene
• 英文别名: 1,6,18,23-tetrazanonacyclo[21.11.1.16,18.02,21.05,20.08,17.09,14.024,33.027,32]hexatriaconta-2(21),3,5(20),8(17),9,11,13,15,24(33),25,27,29,31-tridecaene
• CAS: 1071520-02-9；1193457-14-5；1193457-15-6；1290141-65-9；1314235-81-8；1314235-82-9；1314235-90-9
• 化学式: C₃₂H₂₆N₄
• 分子量: 466.585
• InChiKey: FNARHSDWEKAQHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  36
• 可旋转键数：
  0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  13
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 在 三氟乙酸 作用下， 反应 3.0h， 以67 mg的产率得到1,6,18,23-Tetrazanonacyclo[21.11.1.16,18.02,21.05,20.08,17.09,14.024,33.027,32]hexatriaconta-2(21),3,5(20),8(17),9,11,13,15,24(33),25,27,29,31-tridecaene
  参考文献：
  名称：

  One-Pot Reaction as an Efficient Method for Rigid Molecular Tweezers

  摘要：

  Rigid molecular tweezers are compounds of increasing scientific interest. As the structural requirements for such compounds are highly specific, few types of these tweezers are thus far known. The preparation of examples of rigid large-pincered molecular tweezers based on bis Troger's bases derived from 1,4-benzenediamine is described. In addition, evidence is presented of the different binding abilities of the diastereoisomers of such compounds.

  DOI：

  10.1021/ol8018067

文献信息

• Synthesis and characterisation of a new naphthalene tris-Tröger’s base derivative—a chiral molecular clip
  作者：Bohumil Dolenský、Jiří Kessler、Milan Jakubek、Martin Havlík、Jan Čejka、Jana Novotná、Vladimír Král

  DOI：10.1016/j.tetlet.2012.11.035

  日期：2013.1

  Serial tris-Tröger’s base derivatives (trisTBs) are members of a recently introduced family of chiral molecular clips. Naphthalene tris-Tröger’s base is prepared via both stepwise and one-pot approaches. All three diastereoisomers are isolated and unambiguously identified, and their NMR spectra, enantioseparation and binding ability are studied. The syn,syn-trisTB diastereoisomer, a molecular clip

  tris-Tröger系列的基础衍生物（trisTBs）是最近推出的手性分子片段家族的成员。萘tris-Tröger的碱是通过逐步法和一锅法制备的。分离并明确鉴定了所有三种非对映异构体，并研究了它们的NMR谱，对映体分离和结合能力。发现syn，syn -trisTB非对映异构体是一种分子夹子，是缺电子的氰基苯的潜在分子受体。外消旋体syn，syn-trisTB通过制备型HPLC（手性色谱柱）拆分，并通过比较实验值和计算出的ECD光谱确定绝对构型。建议对酸性介质中的oligoTB稳定性和潜在的阴离子结合具有一般依赖性。