tert-butyl (4-(([1,1':3',1''-terphenyl]-5'-ylamino)methyl)benzyl)([1,1':3',1''-terphenyl]-5'-ylmethyl)carbamate compound with 6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine (1:1) | 1226919-88-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tert-butyl (4-(([1,1':3',1''-terphenyl]-5'-ylamino)methyl)benzyl)([1,1':3',1''-terphenyl]-5'-ylmethyl)carbamate compound with 6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine (1:1)
• CAS: 1226919-88-5
• 化学式: C₂₄H₃₂O₈*C₅₀H₄₆N₂O₂
• 分子量: 1155.44
• InChiKey: YMADYWZGHDQEMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.89
• 重原子数：
  86.0
• 可旋转键数：
  11.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  115.41
• 氢给体数：
  1.0
• 氢受体数：
  11.0

反应信息

• 作为产物：
  描述：

  二碳酸二叔丁酯 、 在 sodium hydroxide 、 三氟乙酸 、 三乙胺 作用下， 以57%的产率得到tert-butyl (4-(([1,1':3',1''-terphenyl]-5'-ylamino)methyl)benzyl)([1,1':3',1''-terphenyl]-5'-ylmethyl)carbamate compound with 6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine (1:1)
  参考文献：
  名称：

  Preparation and Photochemical Properties of [2]Rotaxanes Containing an Aniline Moiety Encapsulated by Crown Ethers

  摘要：

  This paper describes preparation of rotaxanes having an aniline moiety in the axle and crown ethers as wheels through an imine formation reaction and hydrogen-bond-guided self-assembly. UV-vis and emission measurements of the rotaxanes show that both absorption and fluorescence bands shift to longer wavelengths as compared to those of the unencapsulated axle component.

  DOI：

  10.3987/com-09-s(s)92

文献信息

• Electrochemical properties of 3,5-diphenylaniline units encapsulated within a crown ether. Effects of the macrocycle’s aromatic functionality and ring size
  作者：Yuji Tokunaga、Takuya Iwamoto、Satoshi Nakashima、Eiichi Shoji、Ryuji Nakata

  DOI：10.1016/j.tetlet.2010.11.043

  日期：2011.1

  component and crown ethers as the macrocyclic component, prepared through imine formation and hydrogen bond—guided self-assembly. Electrochemical studies of these [2]rotaxanes revealed that the oxidation potential of the aniline moiety when positioned within the cavity of a crown ether was shifted negatively relative to that of the corresponding dumbbell-shaped compound, and that a crown ether possessing

  这封信介绍了一系列[2]轮烷，它们的哑铃状组分具有3,5-二苯基苯胺末端，冠状醚作为大环组分，是通过亚胺的形成和氢键引导的自组装而制备的。这些[2]轮烷的电化学研究表明，位于冠醚腔内的苯胺部分的氧化电位相对于相应的哑铃状化合物负向移动，并且冠醚具有小的腔和与没有芳香环的大孔冠醚相比，大量芳香环对苯胺部分的氧化电势具有更大的负面影响。