7-(3-Pyridyl)heptyl p-toluenesulfonate | 150588-90-2

• 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: 7-(3-Pyridyl)heptyl p-toluenesulfonate
• CAS: 150588-90-2
• 化学式: C₁₉H₂₅NO₃S
• 分子量: 347.478
• InChiKey: PYNCPNOVUZFAQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.29
• 重原子数：
  24.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  56.26
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  7-(3-Pyridyl)heptyl p-toluenesulfonate 在 cesium chloride 作用下， 以 various solvent(s) 为溶剂， 以23%的产率得到1-<7-(3'-Pyridyl)heptyl>-3-<7-<(p-tolylsulfonyl)oxy>heptyl>pyridinium p-toluenesulfonate
  参考文献：
  名称：

  A new EGF-active polymeric pyridinium alkaloid from the sponge Callyspongia fibrosa

  摘要：

  An inhibitor of the epidermal growth factor (EGF) receptor was isolated from an extract of the Micronesian sponge Callyspongia fibrosa. The structure of the EGF-active compound was first proposed, on the basis of ion-spray mass spectrometry, to be the cyclic dimer 1 (n = 2) but comparison of a sample produced by an efficient synthetic route revealed that hypothesis to be incorrect. The EGF-active constituent must therefore be a large oligomer or a polymer of the same repeating subunit 1.

  DOI：

  10.1021/jo00074a017
• 作为产物：
  描述：

  (6-溴己氧基)-叔丁基二甲基硅烷 在 四丁基氟化铵 、 N,N-二异丙基乙胺 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 30.25h， 生成 7-(3-Pyridyl)heptyl p-toluenesulfonate
  参考文献：
  名称：

  A new EGF-active polymeric pyridinium alkaloid from the sponge Callyspongia fibrosa

  摘要：

  An inhibitor of the epidermal growth factor (EGF) receptor was isolated from an extract of the Micronesian sponge Callyspongia fibrosa. The structure of the EGF-active compound was first proposed, on the basis of ion-spray mass spectrometry, to be the cyclic dimer 1 (n = 2) but comparison of a sample produced by an efficient synthetic route revealed that hypothesis to be incorrect. The EGF-active constituent must therefore be a large oligomer or a polymer of the same repeating subunit 1.

  DOI：

  10.1021/jo00074a017