4-[2-(3-carboxy-propylthio)vinylthio]-butyric acid | 393812-84-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 4-[2-(3-carboxy-propylthio)vinylthio]-butyric acid
• 英文别名: 4-[(Z)-2-(3-carboxypropylsulfanyl)ethenyl]sulfanylbutanoic acid
• CAS: 393812-84-5
• 化学式: C₁₀H₁₆O₄S₂
• 分子量: 264.367
• InChiKey: KMYBKRNMHZHFPK-FPLPWBNLSA-N

物化性质

• 沸点：
  503.8±45.0 °C(Predicted)
• 密度：
  1.293±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  16
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  125
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-deoxy-3-amino-β-cyclodextrin 、 4-[2-(3-carboxy-propylthio)vinylthio]-butyric acid 在 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以42%的产率得到C₉₄H₁₅₄O₇₀N₂S₂
  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：

  顺-1,2-二氯乙烯 、 3-羧丙基二硫化物 在 氨 、 sodium 作用下， 反应 4.67h， 以90%的产率得到4-[2-(3-carboxy-propylthio)vinylthio]-butyric acid
  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

文献信息

• 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.