5,6-Dimethoxy-12,15-diacetoxy-1,10-o-benzeno<2,2>orthocyclophane | 136004-56-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 二苯并环庚烯
• 英文名称: 5,6-Dimethoxy-12,15-diacetoxy-1,10-o-benzeno<2,2>orthocyclophane
• 英文别名: 5,6-Dimethoxy-12,15-diacetoxy-1,10-o-benzeno[2,2]orthocyclophane；(15-acetyloxy-5,6-dimethoxy-12-pentacyclo[8.6.6.03,8.011,16.017,22]docosa-3,5,7,11,13,15,17,19,21-nonaenyl) acetate
• CAS: 136004-56-3
• 化学式: C₂₈H₂₆O₆
• 分子量: 458.511
• InChiKey: HFKKZEZBDGTYHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.93
• 重原子数：
  34.0
• 可旋转键数：
  4.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  71.06
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  5,6-Dimethoxy-12,15-diacetoxy-1,10-o-benzeno<2,2>orthocyclophane 在 三溴化硼 、 三氯化铁 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 生成 1,10-o-Benzeno<2.2>orthocyclophane-5,6,12,15-diquinone
  参考文献：
  名称：

  Synthesis and structure of 1,10-o-benzeno[2.2]orthocyclophane-5,6,12,15-diquinone. An experimental evidence for attractive interaction between o- and p-benzoquinone

  摘要：

  The title compound (2) was synthesized by cycloaddition of 4,5-dimethoxybenzocyclobutene and 1,4-diacetoxyanthracene and subsequent hydrolysis followed by oxidations. The syn conformer of 2 was proven to be more stable than anti implying that through space interaction between o- and p-benzoquinone is attractive.

  DOI：

  10.1016/s0040-4039(00)79717-6
• 作为产物：
  描述：

  3,4-二甲氧基二环[4.2.0]辛-1,3,5-三烯 、 1,4-二乙酰氧基蒽 以56%的产率得到5,6-Dimethoxy-12,15-diacetoxy-1,10-o-benzeno<2,2>orthocyclophane
  参考文献：
  名称：

  Synthesis and structure of 1,10-o-benzeno[2.2]orthocyclophane-5,6,12,15-diquinone. An experimental evidence for attractive interaction between o- and p-benzoquinone

  摘要：

  The title compound (2) was synthesized by cycloaddition of 4,5-dimethoxybenzocyclobutene and 1,4-diacetoxyanthracene and subsequent hydrolysis followed by oxidations. The syn conformer of 2 was proven to be more stable than anti implying that through space interaction between o- and p-benzoquinone is attractive.

  DOI：

  10.1016/s0040-4039(00)79717-6