3-[4-(methansulfonylmethyl)phenoxy]phthalonitrile | 760206-83-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-[4-(methansulfonylmethyl)phenoxy]phthalonitrile
• 英文别名: [4-(2,3-Dicyanophenoxy)phenyl]methyl methanesulfonate；[4-(2,3-dicyanophenoxy)phenyl]methyl methanesulfonate
• CAS: 760206-83-5
• 化学式: C₁₆H₁₂N₂O₄S
• 分子量: 328.348
• InChiKey: IPWRLKRFPPPFSA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  109
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-[4-(methansulfonylmethyl)phenoxy]phthalonitrile 在 lithium bromide 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以93%的产率得到3-[4-(bromomethyl)phenoxy]phthalonitrile
  参考文献：
  名称：

  [EN] BORONATED METAL-PHTHALOCYANINES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND USE THEREOF
  [FR] METAL-PHTHALOCYANINES DE BORE, LEUR PROCEDE DE PREPARATION, COMPOSITIONS PHARMACEUTIQUES LES CONTENANT ET LEUR UTILISATION

  摘要：

  本发明涉及至少含有硼同位素11B或10B的金属酞菁，以共价键结合到金属酞菁核的外围位置；此外，它还涉及它们的制备过程、包含它们的药物组合物以及它们用于治疗肿瘤和异型增生病变的用途。

  公开号：

  WO2004081014A1
• 作为产物：
  描述：

  3-硝基邻苯二腈 在 potassium carbonate 、 三乙胺 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 5.0h， 生成 3-[4-(methansulfonylmethyl)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

文献信息

• [EN] BORONATED METAL-PHTHALOCYANINES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND USE THEREOF<br/>[FR] METAL-PHTHALOCYANINES DE BORE, LEUR PROCEDE DE PREPARATION, COMPOSITIONS PHARMACEUTIQUES LES CONTENANT ET LEUR UTILISATION
  申请人：MOLTENI & C

  公开号：WO2004081014A1

  公开（公告）日：2004-09-23

  The present invention relates to meta l-phthalocyanines bearing at least a group containing boron isotopes 11B or 10B, covalently bound to the peripheral positions of metal-phthalocyanine nucleus; moreover it refers to the processes for their preparation, the pharmaceutical compositions comprising them and their use for the treatment of neoplastic and dysplastic pathologies.

  本发明涉及至少含有硼同位素11B或10B的金属酞菁，以共价键结合到金属酞菁核的外围位置；此外，它还涉及它们的制备过程、包含它们的药物组合物以及它们用于治疗肿瘤和异型增生病变的用途。
• 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.