26-(2-benzyloxyethoxy)-17,20-dioxa-1,14,30-triazatricyclo<12.8.7.124,28>triaconta-24,26,28(30)-trien-2,13-dione | 146860-55-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: 26-(2-benzyloxyethoxy)-17,20-dioxa-1,14,30-triazatricyclo<12.8.7.124,28>triaconta-24,26,28(30)-trien-2,13-dione
• 英文别名: 26-(2-benzyloxyethoxy)-17,20-dioxa-1,14,30-triazatricyclo<12.8.7.1^24,28>triaconta-24,26,28(30)-trien-2,13-dione
• CAS: 146860-55-1
• 化学式: C₃₄H₄₉N₃O₆
• 分子量: 595.78
• InChiKey: PPFOJYXEYVQNMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  43.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  90.43
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  26-(2-benzyloxyethoxy)-17,20-dioxa-1,14,30-triazatricyclo<12.8.7.124,28>triaconta-24,26,28(30)-trien-2,13-dione 在 palladium on activated charcoal 氢气 作用下， 以 乙酸乙酯 为溶剂， 以31%的产率得到26-(2-hydroxyethoxy)-17,20-dioxa-1,14,30-triazatricyclo-<12.8.7.1^24,28>triaconta-24,26,28(30)-trien-2,13-dione
  参考文献：
  名称：

  Concave reagents. 12. Polymerfixation of Concave Pyridines

  摘要：

  Via a metal ion template directed synthesis and a high dilution cyclization, a bimacrocyclic 4-benzyloxyethoxy-substituted concave pyridine 8 was synthesized from dialdehyde 3, diamine 4 and diacyl dichloride 7 in 54 % overall yield. Pd-catalyzed hydrogenolysis of 8 afforded the OH-substituted concave pyridine 9 which could be attached to a Merrifield resin 10 after deprotonation with NaH. The modified polymer 11 contained 10 % (w/w) of 8.

  DOI：

  10.1002/prac.19923340803
• 作为产物：
  描述：

  4-(2-benzyloxyethoxy)-pyridine-2,6-dimethanol 在 sodium tetrahydroborate 、 selenium(IV) oxide 、 三乙胺 、 magnesium chloride 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 为溶剂， 反应 11.0h， 生成 26-(2-benzyloxyethoxy)-17,20-dioxa-1,14,30-triazatricyclo<12.8.7.124,28>triaconta-24,26,28(30)-trien-2,13-dione
  参考文献：
  名称：

  Concave reagents. 12. Polymerfixation of Concave Pyridines

  摘要：

  Via a metal ion template directed synthesis and a high dilution cyclization, a bimacrocyclic 4-benzyloxyethoxy-substituted concave pyridine 8 was synthesized from dialdehyde 3, diamine 4 and diacyl dichloride 7 in 54 % overall yield. Pd-catalyzed hydrogenolysis of 8 afforded the OH-substituted concave pyridine 9 which could be attached to a Merrifield resin 10 after deprotonation with NaH. The modified polymer 11 contained 10 % (w/w) of 8.

  DOI：

  10.1002/prac.19923340803