Dimethyl 1,13-diazahexacyclo[11.11.1.02,11.05,10.014,23.017,22]pentacosa-2(11),3,5(10),6,8,14(23),15,17(22),18,20-decaene-7,19-dicarboxylate | 1071520-15-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: Dimethyl 1,13-diazahexacyclo[11.11.1.02,11.05,10.014,23.017,22]pentacosa-2(11),3,5(10),6,8,14(23),15,17(22),18,20-decaene-7,19-dicarboxylate
• 英文别名: dimethyl 1,13-diazahexacyclo[11.11.1.02,11.05,10.014,23.017,22]pentacosa-2(11),3,5(10),6,8,14(23),15,17(22),18,20-decaene-7,19-dicarboxylate
• CAS: 1071520-15-4
• 化学式: C₂₇H₂₂N₂O₄
• 分子量: 438.483
• InChiKey: NCSQHOMJBRPEHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  59.1
• 氢给体数：
  0
• 氢受体数：
  6

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73 mg的产率得到Dimethyl 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(14),10,12,15,24(33),25,27(32),28,30-tridecaene-12,29-dicarboxylate
  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

• Spiro Tröger’s Base Derivatives: Another Structural Phoenix?
  作者：Ameneh Tatar、Jan Čejka、Vladimír Král、Bohumil Dolenský

  DOI：10.1021/ol1004774

  日期：2010.4.16

  Recently, naphthalenoide derivatives of Tröger’s base (TB) have become important as structural compartments of molecular tweezers and compounds with high specific rotation. The formation of TB derivatives and byproducts from naphthalen-2-amine, methyl 6-aminonaphthalene-2-carboxylate, and anthracen-2-amine was studied. It was discovered that the formation of a naphthalenoide TB derivative is followed by the

  最近，作为分子镊子和具有高比旋光度的化合物的结构部分，特洛格碱（TB）的萘二甲酸酯衍生物已变得很重要。研究了由萘-2-胺，6-氨基萘-2-羧酸甲酯和蒽-2-胺形成的结核菌衍生物和副产物。已经发现，形成萘甲醚TB衍生物之后，形成TB的独特结构异构体：spiroTB。