4-(4-phenoxy-1,2-dicarbonitrile)benzenesulfonic acid | 165816-12-6

• 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: 4-(4-phenoxy-1,2-dicarbonitrile)benzenesulfonic acid
• 英文别名: 4-(3,4-dicyano-phenoxy)-benzenesulfonic acid；4-(3,4-Dicyanophenoxy)benzenesulfonic acid
• CAS: 165816-12-6
• 化学式: C₁₄H₈N₂O₄S
• 分子量: 300.295
• InChiKey: WCNWQRCIENFOCW-UHFFFAOYSA-N

物化性质

• 密度：
  1.55±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  120
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4,5-dicyano-(adamantylidene)catechol 、 4-(4-phenoxy-1,2-dicarbonitrile)benzenesulfonic acid 在 zinc diacetate 、 lithium 作用下， 以 戊醇 为溶剂， 反应 4.0h， 以39%的产率得到
  参考文献：
  名称：

  Cyclodextrin Dimers as Cleavable Carriers of Photodynamic Sensitizers

  摘要：

  Several phthalocyanines carrying hydrophobic components have been synthesized and shown to bind to a group of cyclodextrin dimers with a carbon-carbon double bond in the linker. The complexes are soluble in water. On irradiation in the presence of oxygen, the singlet oxygen produced cleaves the olefinic linkers in the complexes, resulting in precipitation of the sensitizers. This process concentrates the sensitizers in the light beam, a process that has useful potential in photodynamic therapy.

  DOI：

  10.1021/ja011709o
• 作为产物：
  描述：

  4-羟基苯磺酸 、 4-硝基邻苯二甲腈 在 盐酸 、 potassium carbonate 作用下， 生成 4-(4-phenoxy-1,2-dicarbonitrile)benzenesulfonic acid
  参考文献：
  名称：

  Negrimovsky, V. M.; Derkacheva, V. M.; Luk'yanets, E. A., Phosphorus, Sulfur and Silicon and the Related Elements, 1995, vol. 104, # 14, p. 161 - 168

  摘要：

  DOI：

文献信息

• Beta-cyclodextrin dimers and phthalocyanines and uses thereof
  申请人：——

  公开号：US20030134824A1

  公开（公告）日：2003-07-17

  The invention provides &bgr;-cyclodextrin dimers and phthalocyanines which can be used in photodynamic therapy of cancer.

  这项发明提供了可用于癌症光动力疗法的β-环糊精二聚体和酞菁化合物。
• Cyclodextrin Dimers as Cleavable Carriers of Photodynamic Sensitizers
  作者：Simon D. P. Baugh、Zhiwei Yang、David K. Leung、David M. Wilson、Ronald Breslow

  DOI：10.1021/ja011709o

  日期：2001.12.19

  Several phthalocyanines carrying hydrophobic components have been synthesized and shown to bind to a group of cyclodextrin dimers with a carbon-carbon double bond in the linker. The complexes are soluble in water. On irradiation in the presence of oxygen, the singlet oxygen produced cleaves the olefinic linkers in the complexes, resulting in precipitation of the sensitizers. This process concentrates the sensitizers in the light beam, a process that has useful potential in photodynamic therapy.
• Negrimovsky, V. M.; Derkacheva, V. M.; Luk'yanets, E. A., Phosphorus, Sulfur and Silicon and the Related Elements, 1995, vol. 104, # 14, p. 161 - 168
  作者：Negrimovsky, V. M.、Derkacheva, V. M.、Luk'yanets, E. A.、Weitemeyer, A.、Woehrle, D.、Schneider, G.

  DOI：——

  日期：——