[(5S,6S,9S,11R,14R,22S,23S,26S,28R,31R)-26-(3,5-dibromobenzoyl)oxy-6,10,10,14,23,27,27,31-octamethyl-3,20-dioxaoctacyclo[16.16.0.02,15.05,14.06,11.019,32.022,31.023,28]tetratriaconta-1(18),2(15),16,19(32),33-pentaen-9-yl] 3,5-dibromobenzoate | 1237825-70-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: [(5S,6S,9S,11R,14R,22S,23S,26S,28R,31R)-26-(3,5-dibromobenzoyl)oxy-6,10,10,14,23,27,27,31-octamethyl-3,20-dioxaoctacyclo[16.16.0.02,15.05,14.06,11.019,32.022,31.023,28]tetratriaconta-1(18),2(15),16,19(32),33-pentaen-9-yl] 3,5-dibromobenzoate
• CAS: 1237825-70-5
• 化学式: C₅₄H₆₀Br₄O₆
• 分子量: 1124.68
• InChiKey: YZHJLSNUNOKBLH-QCQKFFFPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.3
• 重原子数：
  64
• 可旋转键数：
  6
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3,5-二溴苯甲酸 、 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以29 mg的产率得到[(5S,6S,9S,11R,14R,22S,23S,26S,28R,31R)-26-(3,5-dibromobenzoyl)oxy-6,10,10,14,23,27,27,31-octamethyl-3,20-dioxaoctacyclo[16.16.0.02,15.05,14.06,11.019,32.022,31.023,28]tetratriaconta-1(18),2(15),16,19(32),33-pentaen-9-yl] 3,5-dibromobenzoate
  参考文献：
  名称：

  Synthetic Access to Bent Polycycles by Cation-π Cyclization

  摘要：

  The presence of an ether oxygen within a chain undergoing cation-polyene cyclization has a profound Influence on the stereochemistry of this important construction, apparently due to nucleophilic participation of oxygen in the cyclization process and formation of an oxonium intermediate, leading to bent fused ring systems.

  DOI：

  10.1021/ol101410g