3-(4-甲基苯氧基)-1,2-苯二腈 | 116965-13-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-(4-甲基苯氧基)-1,2-苯二腈
• 英文名称: 3-(4-methylphenoxy)phthalonitrile
• 英文别名: 3-(p-Tolyloxy)phthalonitrile；3-(4-methylphenoxy)benzene-1,2-dicarbonitrile
• CAS: 116965-13-0
• 化学式: C₁₅H₁₀N₂O
• 分子量: 234.257
• InChiKey: XJERBWBJRZDWHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  56.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2926909090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

反应信息

• 作为反应物：
  描述：

  3-(4-甲基苯氧基)-1,2-苯二腈 在 N-溴代丁二酰亚胺(NBS) 、 过氧化苯甲酰 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 6.0h， 以95%的产率得到3-[4-(bromomethyl)phenoxy]phthalonitrile
  参考文献：
  名称：

  Synthesis of tetrasubstituted Zn(II)-phthalocyanines carrying four carboranyl-units as potential BNCT and PDT agents

  摘要：

  The synthesis of two tetrasubstituted zinc(II)phthalocyanines carrying four carbon-carbon linked nu-carboranyl-units (40 boron atoms, 27.5% boron by weight) is presented. In an in vitro model test the new compounds showed a good photosensitizing efficiency, that encourages further studies for their evaluation as possible BNCT-PDT sensitizers. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.03.030
• 作为产物：
  描述：

  对甲酚 、 3-硝基邻苯二腈 在 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 以93%的产率得到3-(4-甲基苯氧基)-1,2-苯二腈
  参考文献：
  名称：

  Synthesis of tetrasubstituted Zn(II)-phthalocyanines carrying four carboranyl-units as potential BNCT and PDT agents

  摘要：

  The synthesis of two tetrasubstituted zinc(II)phthalocyanines carrying four carbon-carbon linked nu-carboranyl-units (40 boron atoms, 27.5% boron by weight) is presented. In an in vitro model test the new compounds showed a good photosensitizing efficiency, that encourages further studies for their evaluation as possible BNCT-PDT sensitizers. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.03.030

文献信息

• Synthesis of tetrasubstituted Zn(II)-phthalocyanines carrying four carboranyl-units as potential BNCT and PDT agents
  作者：Francesca Giuntini、Yann Raoul、Donata Dei、Moira Municchi、Giacomo Chiti、Clara Fabris、Paolo Colautti、Giulio Jori、Gabrio Roncucci

  DOI：10.1016/j.tetlet.2005.03.030

  日期：2005.4

  The synthesis of two tetrasubstituted zinc(II)phthalocyanines carrying four carbon-carbon linked nu-carboranyl-units (40 boron atoms, 27.5% boron by weight) is presented. In an in vitro model test the new compounds showed a good photosensitizing efficiency, that encourages further studies for their evaluation as possible BNCT-PDT sensitizers. (c) 2005 Elsevier Ltd. All rights reserved.