1-(2,4-bis((4,6-dichloro-1,3,5-triazin-2-yl)oxy)phenyl)ethan-1-one | 957473-21-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2,4-bis((4,6-dichloro-1,3,5-triazin-2-yl)oxy)phenyl)ethan-1-one
• CAS: 957473-21-1
• 化学式: C₁₄H₆Cl₄N₆O₃
• 分子量: 448.052
• InChiKey: KTKKIDFHKVHYKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.46
• 重原子数：
  27.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  112.87
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  1-(2,4-bis((4,6-dichloro-1,3,5-triazin-2-yl)oxy)phenyl)ethan-1-one 在 potassium carbonate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 反应 58.0h， 生成
  参考文献：
  名称：

  En route to inherently chiral tetraoxacalix[2]arene[2]triazines

  摘要：

  This paper describes our attempts to synthesize inherently chiral heteroatom-bridged calixaromatics. Based on a stepwise fragment-coupling approach using a chiral 3,5-dihydroxybenzamide or benzoate, 2,4-dihydroxyacetophenone, and cyanuric chloride as reactants, chiral tetraoxacalix[2]arene[2]triazine derivatives 16 and 17 were synthesized in good yields. Subsequent macrocyclic condensation with a diamine 6 furnished efficiently the pairs of diastereomers of inherently chiral tetraoxacalix[2]arene[2]triazine azacrowns 18 and 19. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.05.129
• 作为产物：
  描述：

  三聚氯氰 、 2,4-二羟基苯乙酮 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以67%的产率得到1-(2,4-bis((4,6-dichloro-1,3,5-triazin-2-yl)oxy)phenyl)ethan-1-one
  参考文献：
  名称：

  En route to inherently chiral tetraoxacalix[2]arene[2]triazines

  摘要：

  This paper describes our attempts to synthesize inherently chiral heteroatom-bridged calixaromatics. Based on a stepwise fragment-coupling approach using a chiral 3,5-dihydroxybenzamide or benzoate, 2,4-dihydroxyacetophenone, and cyanuric chloride as reactants, chiral tetraoxacalix[2]arene[2]triazine derivatives 16 and 17 were synthesized in good yields. Subsequent macrocyclic condensation with a diamine 6 furnished efficiently the pairs of diastereomers of inherently chiral tetraoxacalix[2]arene[2]triazine azacrowns 18 and 19. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.05.129