N-[2,6-bis(2-pyridin-3-ylethynyl)phenyl]-2,2,2-trifluoroacetamide | 1290539-08-0

• 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: N-[2,6-bis(2-pyridin-3-ylethynyl)phenyl]-2,2,2-trifluoroacetamide
• CAS: 1290539-08-0
• 化学式: C₂₂H₁₂F₃N₃O
• 分子量: 391.352
• InChiKey: NESMOJCFZJPGGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  54.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  palladium (II) nitrate 、 N-[2,6-bis(2-pyridin-3-ylethynyl)phenyl]-2,2,2-trifluoroacetamide 以 氘代二甲亚砜 为溶剂， 生成
  参考文献：
  名称：

  Steric Effects Control Self-Sorting in Self-Assembled Clusters

  摘要：

  Endohedrally functionalized bis(pyridine) ligands show the ability to self-discriminate when treated with coordinating metals to form self-assembled clusters. Self-sorting between components is controlled by substitution on the interior of the complex. Tuning the size of the internal substituent allows selective heterocluster formation, determined by noncovalent and space-filling interactions. This novel method of self-sorting allows discrimination between ligands of identical geometry and donor type.

  DOI：

  10.1021/ic2001688

文献信息

• Controlled Construction of Heteroleptic [Pd ₂ (L ^A ) ₂ (L ^B )(L ^C )] ⁴⁺ Cages: A Facile Approach for Site‐Selective endo‐Functionalization of Supramolecular Cavities
  作者：Yan Liu、Shou‐Heng Liao、Wen‐Tao Dai、Qixia Bai、Shuai Lu、Heng Wang、Xiaopeng Li、Zhe Zhang、Pingshan Wang、Wei Lu、Qi Zhang

  DOI：10.1002/anie.202217215

  日期：2023.2

  AbstractConstruction of supramolecular structures with internal functionalities is a promising approach to build enzyme‐like cavities. The endo‐functionalized [Pd12L24] and [Pd2L4] coordination cages represent the most successful systems in this regard. However, these systems mainly contain one type of endo‐moiety. We herein provide a solution for the controlled endo‐functionalization of [Pd2L4] cages. Site‐selective introduction of the endo‐functional group was achieved through the formation of heteroleptic [Pd2(LA)2(LB)(LC)] cages. Using two orthogonal steric control elements is the key for the selective formation of the hetero‐assemblies. We demonstrated the construction of two hetero‐cages with a single internal functional group as well as a hetero‐cage with two distinct endohedral functionalities. The endo‐functionalized hetero‐cages bound sulfonate guests with fast‐exchange dynamics. This strategy provides a new solution for the controlled endo‐functionalization of supramolecular cavities.
• Steric Effects Control Self-Sorting in Self-Assembled Clusters
  作者：Amber M. Johnson、Richard J. Hooley

  DOI：10.1021/ic2001688

  日期：2011.6.6

  Endohedrally functionalized bis(pyridine) ligands show the ability to self-discriminate when treated with coordinating metals to form self-assembled clusters. Self-sorting between components is controlled by substitution on the interior of the complex. Tuning the size of the internal substituent allows selective heterocluster formation, determined by noncovalent and space-filling interactions. This novel method of self-sorting allows discrimination between ligands of identical geometry and donor type.