4,4',4''-((2,4,6-trimethylbenzene-1,3,5-triyl)tris(methylene))trimorpholine

• 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: 4,4',4''-((2,4,6-trimethylbenzene-1,3,5-triyl)tris(methylene))trimorpholine
• 英文别名: 4-[[2,4,6-Trimethyl-3,5-bis(morpholin-4-ylmethyl)phenyl]methyl]morpholine；4-[[2,4,6-trimethyl-3,5-bis(morpholin-4-ylmethyl)phenyl]methyl]morpholine
• 化学式: C₂₄H₃₉N₃O₃
• 分子量: 417.592
• InChiKey: LPFXPPXMJJRBNQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4,4',4''-((2,4,6-trimethylbenzene-1,3,5-triyl)tris(methylene))trimorpholine 在 potassium carbonate 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 以86%的产率得到4,4',4''-((2,4,6-trimethylbenzene-1,3,5-triyl)tris(methylene))trimorpholine
  参考文献：
  名称：

  Tripodal Tris-N-oxides: Synthesis and Hydrogen Bonding Capabilities

  摘要：

  A number of tripodal tris-N-oxide receptors were synthesized and their hydrogen-bonding capabilities were investigated. Particular success was seen with both the benzene- and mesitylene-linked trismorpholine N-oxide receptors, which exhibited significant hydrogen bonding to both water and urea, as well as the inclusion of a rare decameric water cluster, as demonstrated by X-ray crystallography.

  DOI：

  10.1055/s-0035-1560533
• 作为产物：
  描述：

  吗啉 、 2,4,6-三溴甲基三甲基苯 在 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 48.0h， 以82%的产率得到4,4',4''-((2,4,6-trimethylbenzene-1,3,5-triyl)tris(methylene))trimorpholine
  参考文献：
  名称：

  Tripodal Tris-N-oxides: Synthesis and Hydrogen Bonding Capabilities

  摘要：

  A number of tripodal tris-N-oxide receptors were synthesized and their hydrogen-bonding capabilities were investigated. Particular success was seen with both the benzene- and mesitylene-linked trismorpholine N-oxide receptors, which exhibited significant hydrogen bonding to both water and urea, as well as the inclusion of a rare decameric water cluster, as demonstrated by X-ray crystallography.

  DOI：

  10.1055/s-0035-1560533

文献信息

• Tripodal Tris-N-oxides: Synthesis and Hydrogen Bonding Capabilities
  作者：Ian O’Neil、Gemma Nixon、Helen Billington、S. Kalindjian、Alexander Steiner

  DOI：10.1055/s-0035-1560533

  日期：——

  A number of tripodal tris-N-oxide receptors were synthesized and their hydrogen-bonding capabilities were investigated. Particular success was seen with both the benzene- and mesitylene-linked trismorpholine N-oxide receptors, which exhibited significant hydrogen bonding to both water and urea, as well as the inclusion of a rare decameric water cluster, as demonstrated by X-ray crystallography.