1,1'-(1,6-hexanediyl)-bis[3-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)imino-1H-indol-2-one] | 909529-47-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,1'-(1,6-hexanediyl)-bis[3-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)imino-1H-indol-2-one]
• 英文别名: 3-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-1-[6-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-2-oxoindol-1-yl]hexyl]indol-2-one
• CAS: 909529-47-1
• 化学式: C₄₄H₄₂N₈O₄
• 分子量: 746.869
• InChiKey: DCCYYTCMPJPXPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  56
• 可旋转键数：
  11
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  112
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1,1'-(1,6-hexanediyl)-bis[3-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)imino-1H-indol-2-one] 、 巯基乙酸 以 甲苯 为溶剂， 反应 8.0h， 以65%的产率得到1,1'-(1,6-hexanediyl)-bis[3'-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)spiro[3H-indole-3,2'-thiazolidine]-2,4'-dione]
  参考文献：
  名称：

  Synthesis of Some Novel bis‐Spiro[indole‐pyrazolinyl‐thiazolidine]‐2,4′‐diones

  摘要：

  The reaction of 1H-indol-2,3-diones with 1,6-dibromohexane has resulted in the formation of new 1H-indol-2,3-diones-1,1'-(1,6-hexanediyl) bis in quantitative yields. These compounds have been used for the synthesis of novel [3'-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl) spiro[3H-indol-3,2'-thiazolidine]-2,4'-dione]1,1'-(1,6-hexanediyl) bis via bis Schiff's bases, [3-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl) imino-1H-indol-2-one]-1,1'-(1,6-hexanediyl)bis.

  DOI：

  10.1080/00397910600602560
• 作为产物：
  描述：

  1,6-二溴己烷 在 sodium hydride 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 26.0h， 生成 1,1'-(1,6-hexanediyl)-bis[3-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)imino-1H-indol-2-one]
  参考文献：
  名称：

  Synthesis of Some Novel bis‐Spiro[indole‐pyrazolinyl‐thiazolidine]‐2,4′‐diones

  摘要：

  The reaction of 1H-indol-2,3-diones with 1,6-dibromohexane has resulted in the formation of new 1H-indol-2,3-diones-1,1'-(1,6-hexanediyl) bis in quantitative yields. These compounds have been used for the synthesis of novel [3'-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl) spiro[3H-indol-3,2'-thiazolidine]-2,4'-dione]1,1'-(1,6-hexanediyl) bis via bis Schiff's bases, [3-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl) imino-1H-indol-2-one]-1,1'-(1,6-hexanediyl)bis.

  DOI：

  10.1080/00397910600602560