4,14-dioxa-2(2,9)-phenanthrolina-8(5,2),9(2,6),10(2,5)-tripyridina-1,3(1,4)-dibenzenacyclotetradecaphane compound with 5,5'-bis((4-((4-(tris(4-(tert-butyl)phenyl)methyl)phenoxy)methyl)-1H-1,2,3-triazol-1-yl)methyl)-2,2'-bipyridine (1:1) | 1065071-13-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 4,14-dioxa-2(2,9)-phenanthrolina-8(5,2),9(2,6),10(2,5)-tripyridina-1,3(1,4)-dibenzenacyclotetradecaphane compound with 5,5'-bis((4-((4-(tris(4-(tert-butyl)phenyl)methyl)phenoxy)methyl)-1H-1,2,3-triazol-1-yl)methyl)-2,2'-bipyridine (1:1)
• CAS: 1065071-13-7
• 化学式: C₄₅H₃₅N₅O₂*C₉₂H₁₀₂N₈O₂
• 分子量: 2029.68
• InChiKey: SZRLZYRCNUEMAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  31.1
• 重原子数：
  154.0
• 可旋转键数：
  19.0
• 环数：
  27.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  188.57
• 氢给体数：
  0.0
• 氢受体数：
  17.0

反应信息

• 作为产物：
  描述：

  1-(prop-2-ynyloxy)-4-(tris(4-tert-butylphenyl)methyl)benzene 、 6,26-Dioxa-12,20,40,43,48-pentazanonacyclo[29.8.4.22,5.210,13.219,22.227,30.114,18.034,42.037,41]dopentaconta-1(40),2(52),3,5(51),10,12,14(48),15,17,19,21,27(45),28,30(44),31(43),32,34(42),35,37(41),38,46,49-docosaene 、 5,5'-bis(azidomethyl)-2,2'-bipyridine 以12%的产率得到4,14-dioxa-2(2,9)-phenanthrolina-8(5,2),9(2,6),10(2,5)-tripyridina-1,3(1,4)-dibenzenacyclotetradecaphane compound with 5,5'-bis((4-((4-(tris(4-(tert-butyl)phenyl)methyl)phenoxy)methyl)-1H-1,2,3-triazol-1-yl)methyl)-2,2'-bipyridine (1:1)
  参考文献：
  名称：

  Synthesis of new copper(I)-complexed rotaxanes via click chemistry

  摘要：

  The Cu(I)-catalyzed dipolar cycloaddition of azides and terminal alkynes ('click' chemistry) has been used as a mild and efficient stoppering reaction for the preparation of new copper(I)-complexed rotaxanes. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.05.078