| 1311229-16-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1311229-16-9
• 化学式: C₅₄H₅₄O₁₅
• 分子量: 943.014
• InChiKey: SRKRHTCGOITIAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.63
• 重原子数：
  69.0
• 可旋转键数：
  24.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  161.97
• 氢给体数：
  0.0
• 氢受体数：
  15.0

反应信息

• 作为反应物：
  描述：

  三(2-氨基乙基)胺 、 在 sodium tetrahydroborate 作用下， 以 甲醇 、 氯仿 为溶剂， 反应 3.0h， 以55%的产率得到
  参考文献：
  名称：

  Shorter and Modular Synthesis of Hemicryptophane-tren Derivatives

  摘要：

  Hemicryptophanes are host molecules with many applications as supramolecular catalysts or in ion selective recognition. A very convenient and efficient modular approach for the synthesis of hemicryptophane-tren (tren, tris(2-aminoethyl)-amine) derivatives has been developed. For instance, hemicryptophane 1 was synthesized at the gram scale in four steps from vanillyl alcohol compared to the previous seven-step procedure. The size, shape, and functionalities of the molecular cavity were also easily modified.

  DOI：

  10.1021/ol201355t
• 作为产物：
  描述：

  4-羟基-2-甲氧基苯甲醛 、 2,7,12-tris-(2-bromoethoxy)-3,8,13-trimethoxy-10,15-dihydro-2H-tribenzo[a,d,g]cyclononene 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以95%的产率得到
  参考文献：
  名称：

  Shorter and Modular Synthesis of Hemicryptophane-tren Derivatives

  摘要：

  Hemicryptophanes are host molecules with many applications as supramolecular catalysts or in ion selective recognition. A very convenient and efficient modular approach for the synthesis of hemicryptophane-tren (tren, tris(2-aminoethyl)-amine) derivatives has been developed. For instance, hemicryptophane 1 was synthesized at the gram scale in four steps from vanillyl alcohol compared to the previous seven-step procedure. The size, shape, and functionalities of the molecular cavity were also easily modified.

  DOI：

  10.1021/ol201355t