1,4-bis-{2,5-dimethoxy-4-[2-(3,5-dimethyl-4-nitrophenyl)ethenyl]phenyl}butadiene | 1208264-47-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 1,4-bis-{2,5-dimethoxy-4-[2-(3,5-dimethyl-4-nitrophenyl)ethenyl]phenyl}butadiene
• 英文别名: DB2-DNB；5-[2-[4-[4-[4-[2-(3,5-dimethyl-4-nitrophenyl)ethenyl]-2,5-dimethoxyphenyl]buta-1,3-dienyl]-2,5-dimethoxyphenyl]ethenyl]-1,3-dimethyl-2-nitrobenzene
• CAS: 1208264-47-4
• 化学式: C₄₀H₄₀N₂O₈
• 分子量: 676.766
• InChiKey: ZIMZVNKGECPTFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.4
• 重原子数：
  50
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  129
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-{2-[4-(2-iodoethenyl)-2,5-dimethoxyphenyl]ethenyl}-2,6-dimethyl-1-nitrobenzene 、 2,6-dimethyl-4-(2-{2,5-dimethoxy-4-[2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)ethenyl]phenyl}ethenyl)-1-nitrobenzene 在 bis-triphenylphosphine-palladium(II) chloride 、 sodium ethanolate 、 双氧水 、 sodium hydroxide 作用下， 以 甲苯 、 水 为溶剂， 以46.2%的产率得到1,4-bis-{2,5-dimethoxy-4-[2-(3,5-dimethyl-4-nitrophenyl)ethenyl]phenyl}butadiene
  参考文献：
  名称：

  Multiple bond-conjugated photoinduced nitric oxide releaser working with two-photon excitation

  摘要：

  Four novel nitric oxide (NO) releasers working via two-photon excitation (TPE), based on an acceptor-donor-acceptor (A-D-A) molecular design, were synthesized. Their decomposition and NO release in response to one-photon excitation, and their decomposition in response to two-photon excitation were examined. Their photoinduced decomposition characteristics are discussed. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.120