(pyren-1-yl)methyl 1,3-dihydroxybenzoate | 945010-86-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: (pyren-1-yl)methyl 1,3-dihydroxybenzoate
• 英文别名: Pyren-1-ylmethyl 3,5-dihydroxybenzoate
• CAS: 945010-86-6
• 化学式: C₂₄H₁₆O₄
• 分子量: 368.389
• InChiKey: BZWGAAIYEMKNQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (pyren-1-yl)methyl 1,3-dihydroxybenzoate 、 三聚氯氰 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81%的产率得到Pyren-1-ylmethyl 3,5-bis[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]benzoate
  参考文献：
  名称：

  Synthesis and Structure of Upper-Rim 1,3-Alternate Tetraoxacalix[2]arene[2]triazine Azacrowns and Change of Cavity in Response to Fluoride Anion

  摘要：

  The upper-rim 1,3-alternate tetraoxacalix[2]arene[2]triazine azacrowns were constructed effectively by macrocyclic condensation reaction of diamines with dichlorinated tetraoxacalix[2]arene[2]triazine intermediates that were synthesized from the stepwise fragment coupling reactions of 3,5-dihydroxybenzoic acid esters with cyanuric chlorides. Because of the formation of conjugation of amino groups with triazine rings, tetraoxacalix[2]arene[2]triazine azacrowns existed in a mixture of syn- and anti-isomeric forms. Both fluorescence titration and H-1 NMR spectroscopic study showed that tetraoxacalix[2]arene[2]triazine azacrowns interacted with fluoride anion, leading to cavity changes of the host molecules.

  DOI：

  10.1021/jo0706168
• 作为产物：
  描述：

  3,5-bis((tetrahydro-2H-pyran-2-yl)oxy)benzoic acid 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 28.0h， 生成 (pyren-1-yl)methyl 1,3-dihydroxybenzoate
  参考文献：
  名称：

  Synthesis and Structure of Upper-Rim 1,3-Alternate Tetraoxacalix[2]arene[2]triazine Azacrowns and Change of Cavity in Response to Fluoride Anion

  摘要：

  The upper-rim 1,3-alternate tetraoxacalix[2]arene[2]triazine azacrowns were constructed effectively by macrocyclic condensation reaction of diamines with dichlorinated tetraoxacalix[2]arene[2]triazine intermediates that were synthesized from the stepwise fragment coupling reactions of 3,5-dihydroxybenzoic acid esters with cyanuric chlorides. Because of the formation of conjugation of amino groups with triazine rings, tetraoxacalix[2]arene[2]triazine azacrowns existed in a mixture of syn- and anti-isomeric forms. Both fluorescence titration and H-1 NMR spectroscopic study showed that tetraoxacalix[2]arene[2]triazine azacrowns interacted with fluoride anion, leading to cavity changes of the host molecules.

  DOI：

  10.1021/jo0706168