21-Tert-butyl-3,18,25,40-tetraoxa-11,32,46-triazaheptacyclo[40.3.1.04,9.012,17.019,24.026,31.034,39]hexatetraconta-1(45),4,6,8,12,14,16,19(24),20,22,26,28,30,34,36,38,42(46),43-octadecaene | 1271734-55-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 21-Tert-butyl-3,18,25,40-tetraoxa-11,32,46-triazaheptacyclo[40.3.1.04,9.012,17.019,24.026,31.034,39]hexatetraconta-1(45),4,6,8,12,14,16,19(24),20,22,26,28,30,34,36,38,42(46),43-octadecaene
• CAS: 1271734-55-4
• 化学式: C₄₃H₄₁N₃O₄
• 分子量: 663.816
• InChiKey: JNNGAKBIRMOQTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.6
• 重原子数：
  50
• 可旋转键数：
  1
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  73.9
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  21-Tert-butyl-3,18,25,40-tetraoxa-11,32,46-triazaheptacyclo[40.3.1.04,9.012,17.019,24.026,31.034,39]hexatetraconta-1(45),4,6,8,10,12,14,16,19(24),20,22,26,28,30,32,34,36,38,42(46),43-icosaene 在 sodium tetrahydroborate 作用下， 以 乙醇 、 氯仿 为溶剂， 反应 24.0h， 以63%的产率得到21-Tert-butyl-3,18,25,40-tetraoxa-11,32,46-triazaheptacyclo[40.3.1.04,9.012,17.019,24.026,31.034,39]hexatetraconta-1(45),4,6,8,12,14,16,19(24),20,22,26,28,30,34,36,38,42(46),43-octadecaene
  参考文献：
  名称：

  Nontemplate Synthesis of Two Novel 23-Membered N₃O₄-Donor Macrocycles

  摘要：

  [image omitted] A novel 23-membered heptadentate N3O4 Schiff base ligand has been prepared by [1+1] cyclocondensation of 1,2-bis(2'-aminophenoxy)-4-t-butylbenzene with 2,6-bis(2-formylphenoxymethyl)pyridine by a nontemplate procedure. Treatment of L1 with NaBH4 in EtOH/CHCl3 gave the di-amine macrocycle L2.

  DOI：

  10.1080/00397911003611794

文献信息

• Nontemplate Synthesis of Two Novel 23-Membered N₃O₄-Donor Macrocycles
  作者：Hadi Amiri Rudbari、Ali Varasteh Moradi、Reza Azadbakht

  DOI：10.1080/00397911003611794

  日期：2011.1.31

  [image omitted] A novel 23-membered heptadentate N3O4 Schiff base ligand has been prepared by [1+1] cyclocondensation of 1,2-bis(2'-aminophenoxy)-4-t-butylbenzene with 2,6-bis(2-formylphenoxymethyl)pyridine by a nontemplate procedure. Treatment of L1 with NaBH4 in EtOH/CHCl3 gave the di-amine macrocycle L2.