benzyl 74-acetyl-16,56-dichloro-2,4,6,8-tetraoxa-1,5(2,4)-ditriazina-3,7(1,3)-dibenzenacyclooctaphane-35-carboxylate | 957473-22-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzyl 74-acetyl-16,56-dichloro-2,4,6,8-tetraoxa-1,5(2,4)-ditriazina-3,7(1,3)-dibenzenacyclooctaphane-35-carboxylate
• CAS: 957473-22-2
• 化学式: C₂₈H₁₆Cl₂N₆O₇
• 分子量: 619.377
• InChiKey: RQYKTKORAZGWHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.41
• 重原子数：
  43.0
• 可旋转键数：
  4.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  157.63
• 氢给体数：
  0.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  benzyl 74-acetyl-16,56-dichloro-2,4,6,8-tetraoxa-1,5(2,4)-ditriazina-3,7(1,3)-dibenzenacyclooctaphane-35-carboxylate 、 1,14-二氨基-3,6,9,12-四氧杂十四烷 在 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 22.0h， 以91%的产率得到
  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：

  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 、 丙酮 为溶剂， 反应 38.0h， 生成 benzyl 74-acetyl-16,56-dichloro-2,4,6,8-tetraoxa-1,5(2,4)-ditriazina-3,7(1,3)-dibenzenacyclooctaphane-35-carboxylate
  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