13,42-Ditert-butyl-28,57-dimethyl-10,17,39,46-tetraoxa-3,24,32,53-tetrazanonacyclo[53.3.1.126,30.04,9.011,16.018,23.033,38.040,45.047,52]hexaconta-1(58),4,6,8,11(16),12,14,18,20,22,26(60),27,29,33,35,37,40(45),41,43,47,49,51,55(59),56-tetracosaene-59,60-diol | 1230569-56-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 13,42-Ditert-butyl-28,57-dimethyl-10,17,39,46-tetraoxa-3,24,32,53-tetrazanonacyclo[53.3.1.126,30.04,9.011,16.018,23.033,38.040,45.047,52]hexaconta-1(58),4,6,8,11(16),12,14,18,20,22,26(60),27,29,33,35,37,40(45),41,43,47,49,51,55(59),56-tetracosaene-59,60-diol
• CAS: 1230569-56-8
• 化学式: C₆₂H₆₄N₄O₆
• 分子量: 961.213
• InChiKey: AWZFVVGFIYDNMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.4
• 重原子数：
  72
• 可旋转键数：
  2
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  126
• 氢给体数：
  6
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  13,42-Ditert-butyl-28,57-dimethyl-10,17,39,46-tetraoxa-3,24,32,53-tetrazanonacyclo[53.3.1.126,30.04,9.011,16.018,23.033,38.040,45.047,52]hexaconta-1(58),2,4,6,8,11(16),12,14,18,20,22,24,26(60),27,29,31,33,35,37,40(45),41,43,47,49,51,53,55(59),56-octacosaene-59,60-diol 在 甲醇 、 sodium tetrahydroborate 作用下， 以 氯仿 为溶剂， 以70%的产率得到13,42-Ditert-butyl-28,57-dimethyl-10,17,39,46-tetraoxa-3,24,32,53-tetrazanonacyclo[53.3.1.126,30.04,9.011,16.018,23.033,38.040,45.047,52]hexaconta-1(58),4,6,8,11(16),12,14,18,20,22,26(60),27,29,33,35,37,40(45),41,43,47,49,51,55(59),56-tetracosaene-59,60-diol
  参考文献：
  名称：

  Four Novel 30-Membered Imine and Amine Macrocycles Derived fromOrtho-Aminophenyl Diamines

  摘要：

  Two novel macrocyclic tetra-imine-diphenol Schiff base (H2L1 and H2L2) were synthesized by [2+2] cyclocondensation of ortho-aminophenyl diamines [1,2-bis(2'-aminophenoxy)benzene (I) and 1,2-bis(2'-aminophenoxy)-4-t-butylbenzene (II)] with 2,6-diformyl-4-methylphenol. Two novel tetra-amine-diphenol macrocycles (H2L3 and H2L4) have been obtained by reduction of the imine analogs with NaBH4 in MeOH/CHCl3.

  DOI：

  10.1080/00397910903097328

文献信息

• Four Novel 30-Membered Imine and Amine Macrocycles Derived from<i>Ortho</i>-Aminophenyl Diamines
  作者：Hassan Keypour、Hadi Amiri Rudbari、Reza Azadbakht

  DOI：10.1080/00397910903097328

  日期：2010.4.26

  Two novel macrocyclic tetra-imine-diphenol Schiff base (H2L1 and H2L2) were synthesized by [2+2] cyclocondensation of ortho-aminophenyl diamines [1,2-bis(2'-aminophenoxy)benzene (I) and 1,2-bis(2'-aminophenoxy)-4-t-butylbenzene (II)] with 2,6-diformyl-4-methylphenol. Two novel tetra-amine-diphenol macrocycles (H2L3 and H2L4) have been obtained by reduction of the imine analogs with NaBH4 in MeOH/CHCl3.