| 1328884-37-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• CAS: 1328884-37-2
• 化学式: C₁₂₈H₁₄₄O₁₆
• 分子量: 1938.54
• InChiKey: LWUPLCYWQONHRT-OCKIAJHZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  33.96
• 重原子数：
  144.0
• 可旋转键数：
  56.0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  210.4
• 氢给体数：
  0.0
• 氢受体数：
  16.0

反应信息

• 作为产物：
  描述：

  C-UNDECYLCALIX(4)RESORCINARENE CH3OH 、 苯甲酰氯 在 吡啶 作用下， 反应 2.0h， 以99%的产率得到
  参考文献：
  名称：

  Regioselective O-Substitution of C-Undecylresorcin[4]arene

  摘要：

  Selectively functionalized resorcinarenes were obtained by weak-base-promoted O-alkylation of C-undecylresorcin[4]arene 1. Tetrasubstituted derivatives with C-4-1,3,5,7, C-2v-1 2,5,6, C-s-1,2,4,7, and C-1-1,2,4,6 pattern were obtained in workable yields by using K2CO3 as the base in acetone at reflux. The good regioselectivity with respect to the statistical distribution was explained in terms of preferential formation of H-bonded monoanions. Heptaaroylated resorcin[4]arenes were also easily obtained by reaction of 1 with aroyl chlorides in pyridine.

  DOI：

  10.1021/ol201919p