4-((4-iodo-2,3,5,6-tetramethylphenyl)ethynyl)pyridine | 1255535-41-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-((4-iodo-2,3,5,6-tetramethylphenyl)ethynyl)pyridine
• CAS: 1255535-41-1
• 化学式: C₁₇H₁₆IN
• 分子量: 361.225
• InChiKey: YIWDKVSVMPPJRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.32
• 重原子数：
  19.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  12.89
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  4-((4-iodo-2,3,5,6-tetramethylphenyl)ethynyl)pyridine 、 2-(4-bromo-2,3,5,6-tetramethylphenyl)-3-ethynyl-9-mesityl-1,10-phenanthroline 在 四(三苯基膦)钯 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以77%的产率得到
  参考文献：
  名称：

  From an Eight-Component Self-Sorting Algorithm to a Trisheterometallic Scalene Triangle

  摘要：

  Using motifs from 3-fold completive self-sorting in an eight-component library, we report on the design and fabrication of a fully dynamic trisheterometallic scalene triangle, a demanding supramolecular structure that complements the so far known triangular structures.

  DOI：

  10.1021/ja108419k
• 作为产物：
  描述：

  1,4-二碘-2,3,5,6-四甲基苯 、 4-ethynylpyridine hydrochloride 在 四(三苯基膦)钯 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 24.0h， 以51%的产率得到4-((4-iodo-2,3,5,6-tetramethylphenyl)ethynyl)pyridine
  参考文献：
  名称：

  From an Eight-Component Self-Sorting Algorithm to a Trisheterometallic Scalene Triangle

  摘要：

  Using motifs from 3-fold completive self-sorting in an eight-component library, we report on the design and fabrication of a fully dynamic trisheterometallic scalene triangle, a demanding supramolecular structure that complements the so far known triangular structures.

  DOI：

  10.1021/ja108419k

文献信息

• Merging strong and weak coordination motifs in the integrative self-sorting of a 5-component trapezoid and scalene triangle
  作者：Manik Lal Saha、Jan W. Bats、Michael Schmittel

  DOI：10.1039/c3ob41258j

  日期：——

  In a dynamic six-component library, the formation of the rather weak HETPYP-I complexation can be enforced by exploiting the orthogonality and high stability of its counterpart in the sorting process, a HETTAP complex. The concept was used in a follow-up integrative self-sorting, enabling the formation of two five-component supramolecular structures: a trapezoid and a scalene triangle.

  在动态六组分库中，可以利用其对应物--HETTAP 复合物--在分选过程中的正交性和高稳定性，形成相当弱的 HETPYP-I 复合物。这一概念被用于后续的整合自分选，从而形成了两种五组分超分子结构：梯形和不规则三角形。
• From 3-Fold Completive Self-Sorting of a Nine-Component Library to a Seven-Component Scalene Quadrilateral
  作者：Manik Lal Saha、Michael Schmittel

  DOI：10.1021/ja410425k

  日期：2013.11.27

  Three-fold completive self-sorting of a nine-component library with >= 126 possible combinations led to the clean formation of only three heteroleptic metal ligand complexes. Due to the orthogonality of the latter, they were used as corner stones in an integrative self-sorting approach toward a seven-component scalene quadrilateral.