(E,E)-1,7-bis(4-methoxyphenyl)hepta-1,6-diene | 188024-43-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (E,E)-1,7-bis(4-methoxyphenyl)hepta-1,6-diene
• 英文别名: 1-methoxy-4-[(1E,6E)-7-(4-methoxyphenyl)hepta-1,6-dienyl]benzene
• CAS: 188024-43-3
• 化学式: C₂₁H₂₄O₂
• 分子量: 308.42
• InChiKey: DDNJYBCRLXPRKC-CDJQDVQCSA-N

物化性质

• 沸点：
  474.4±45.0 °C(Predicted)
• 密度：
  1.039±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (E,E)-1,7-bis(4-methoxyphenyl)hepta-1,6-diene 在 Ru(bpz)₃(PF₆)₂ 、 氧气 作用下， 以 硝基甲烷 为溶剂， 5.0 ℃ 、413.69 kPa 条件下， 反应 2.0h， 生成 (1S,4S,4aS,7aS)-1,4-bis(4-methoxyphenyl)-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,2]dioxine 、 (1S,4R,4aS,7aS)-1,4-bis(4-methoxyphenyl)-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,2]dioxine
  参考文献：
  名称：

  Endoperoxide Synthesis by Photocatalytic Aerobic [2 + 2 + 2] Cycloadditions

  摘要：

  Structurally novel endoperoxides can be sythesized by the photocatalytic cyclotrimerization of bis(styrene) substrates with molecular oxygen. The optimal catalyst for this process is Ru(bpz)(3)(2+), which is a markedly more efficient catalyst for these photooxygention reactions than conventional organic photosensitizers. The 1,2-dioxolane products are amenable to synthetic manipulation and can be easily processed to 1,4-diols and gamma-hydroxyketones. An initial screen of the biological activity of these compounds reveals promising inhibition of cancer cell growth.

  DOI：

  10.1021/ol300428q
• 作为产物：
  描述：

  4-甲氧基苄基三苯基膦溴化盐 在 偶氮二异丁腈 、 potassium tert-butylate 、 苯硫酚 作用下， 以 四氢呋喃 、 苯 为溶剂， 反应 42.0h， 生成 (E,E)-1,7-bis(4-methoxyphenyl)hepta-1,6-diene
  参考文献：
  名称：

  Endoperoxide Synthesis by Photocatalytic Aerobic [2 + 2 + 2] Cycloadditions

  摘要：

  Structurally novel endoperoxides can be sythesized by the photocatalytic cyclotrimerization of bis(styrene) substrates with molecular oxygen. The optimal catalyst for this process is Ru(bpz)(3)(2+), which is a markedly more efficient catalyst for these photooxygention reactions than conventional organic photosensitizers. The 1,2-dioxolane products are amenable to synthetic manipulation and can be easily processed to 1,4-diols and gamma-hydroxyketones. An initial screen of the biological activity of these compounds reveals promising inhibition of cancer cell growth.

  DOI：

  10.1021/ol300428q