2,8,14,20-Tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-25-carbaldehyde | 1610616-13-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,8,14,20-Tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-25-carbaldehyde
• CAS: 1610616-13-1
• 化学式: C₂₁H₂₀N₁₂O
• 分子量: 456.47
• InChiKey: MXJULAUGWFMSTL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  34
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  140
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2,8,14,20-Tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-25-carbaldehyde 在 N-氯代丁二酰亚胺 、 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 、 溶剂黄146 作用下， 以 1,1,2,2-四氯乙烷 为溶剂， 反应 4.0h， 生成 27,28-Dichloro-2,16,22,29-tetramethyl-2,4,6,12,14,16,18,20,22,24,26,29-dodecazahexacyclo[21.3.1.17,11.117,21.03,8.010,15]nonacosa-1(27),3,5,7,10,12,14,17(28),18,20,23,25-dodecaen-9-one
  参考文献：
  名称：

  Synthesis of functionalized azacalix[3]aromatics from azacalix[4]pyrimidine: unexpected macrocyclic transannular reactions

  摘要：

  The lower-rim formylated azacalix[4]pyrimidine underwent transannular Friedel-Crafts and dehydrogenative cross coupling reactions to afford, respectively, 2,4,5,7-tetraaza-9,10-dihydroacridine and -dihydroacridin-9-one containing azacalix[3]aromatics. Dihalogenation of the later compound produced resolvable inherently chiral azacalix[3]aromatics. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.04.034
• 作为产物：
  描述：

  tetraazacalix[4]pyrimidine 在 N-溴代丁二酰亚胺(NBS) 、 正丁基锂 、 溶剂黄146 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 1.0h， 生成 2,8,14,20-Tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-25-carbaldehyde
  参考文献：
  名称：

  Synthesis of functionalized azacalix[3]aromatics from azacalix[4]pyrimidine: unexpected macrocyclic transannular reactions

  摘要：

  The lower-rim formylated azacalix[4]pyrimidine underwent transannular Friedel-Crafts and dehydrogenative cross coupling reactions to afford, respectively, 2,4,5,7-tetraaza-9,10-dihydroacridine and -dihydroacridin-9-one containing azacalix[3]aromatics. Dihalogenation of the later compound produced resolvable inherently chiral azacalix[3]aromatics. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.04.034