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 | 1208264-52-1

• 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: 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
• CAS: 1208264-52-1
• 化学式: C₂₆H₃₂BNO₆
• 分子量: 465.354
• InChiKey: CRDMPMIPMIOAQK-UHFFFAOYSA-N

物化性质

• 沸点：
  546.6±60.0 °C(predicted)
• 密度：
  1.15±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.04
• 重原子数：
  34.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  80.06
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2,5-dimethoxy-4-[2-(3,5-dimethyl-4-nitrophenyl)ethenyl]iodobenzene 、 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44.7%的产率得到1,2-bis{2,5-dimethoxy-4-[2-(3,5-dimethyl-4-nitrophenyl)ethenyl]phenyl}ethene
  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
• 作为产物：
  描述：

  4-[2-(4-ethynyl-2,5-dimethoxyphenyl)ethenyl]-2,6-dimethyl-1-nitrobenzene 、 频那醇硼烷 在 Schwartz's reagent 作用下， 以 二氯甲烷 为溶剂， 以49.3%的产率得到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
  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