16-(1-adamantyl)-12,21-diaza-[3.3](1,3)-adamantanemetacyclophane-12,20-dien-19-ol | 1120356-42-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 16-(1-adamantyl)-12,21-diaza-[3.3](1,3)-adamantanemetacyclophane-12,20-dien-19-ol
• CAS: 1120356-42-4
• 化学式: C₃₀H₃₈N₂O
• 分子量: 442.645
• InChiKey: MNHUQGNTKPTPBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  33.0
• 可旋转键数：
  1.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  44.95
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  16-(1-adamantyl)-12,21-diaza-[3.3](1,3)-adamantanemetacyclophane-12,20-dien-19-ol 在 sodium tetrahydroborate 作用下， 以 甲醇 、 甲苯 为溶剂， 以100%的产率得到16-(1-adamantyl)-12,21-diaza-[3.3](1,3)-adamantanemetacyclophan-19-ol
  参考文献：
  名称：

  [1+1]-cyclization of 4-(1-adamantyl)-2,6-diformylphenol with 1,3-bis(aminoalkyl)adamantanes

  摘要：

  Selective [1+1]-cyclization of 4-(1-adamantyl)-2,6-diformylphenol with 1,3-bis(aminoalkyl)-adamantane under high dilution conditions in methanol was used to synthesize a new type of adamantine araliphanes, macrocyclic nitrogen-containing compounds with phenolic and adamantane fragments incorporated in the macroring. The [1+1]-cyclization reaction proceeds unusually to form, along with macrocyclic Schiff bases, methanol addition products at one of the N=CH groups of these compounds. The [1+1]-cyclization pattern is shown to depend on the reaction conditions and the structure of the starting diamine.

  DOI：

  10.1134/s1070363208040178
• 作为产物：
  描述：

  2-hydroxy-5-(1-adamantyl)benzene-1,3-dicarbaldehyde 、 1,3-金刚烷二甲胺 以 甲醇 、 氯仿 为溶剂， 反应 120.0h， 以100%的产率得到16-(1-adamantyl)-12,21-diaza-[3.3](1,3)-adamantanemetacyclophane-12,20-dien-19-ol
  参考文献：
  名称：

  [1+1]-cyclization of 4-(1-adamantyl)-2,6-diformylphenol with 1,3-bis(aminoalkyl)adamantanes

  摘要：

  Selective [1+1]-cyclization of 4-(1-adamantyl)-2,6-diformylphenol with 1,3-bis(aminoalkyl)-adamantane under high dilution conditions in methanol was used to synthesize a new type of adamantine araliphanes, macrocyclic nitrogen-containing compounds with phenolic and adamantane fragments incorporated in the macroring. The [1+1]-cyclization reaction proceeds unusually to form, along with macrocyclic Schiff bases, methanol addition products at one of the N=CH groups of these compounds. The [1+1]-cyclization pattern is shown to depend on the reaction conditions and the structure of the starting diamine.

  DOI：

  10.1134/s1070363208040178