6'-amino-1-methyl-2-oxo-3'-propyl-2'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile | 844860-43-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 6'-amino-1-methyl-2-oxo-3'-propyl-2'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
• 英文别名: 6-amino-1'-methyl-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
• CAS: 844860-43-1
• 化学式: C₁₈H₁₇N₅O₂
• 分子量: 335.365
• InChiKey: LPFDMYGYGGORIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-甲基靛红 、 丁酰乙酸乙酯 、 丙二腈 在 哌啶 、 水 、 一水合肼 作用下， 反应 5.0h， 以90%的产率得到6'-amino-1-methyl-2-oxo-3'-propyl-2'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
  参考文献：
  名称：

  A clean and one-pot synthesis of spiroindoline-pyranopyrazoles

  摘要：

  Abstract magnified image Piperidine catalyzes efficiently the one‐pot, four‐component reaction of β‐ketoesters, hydrazine hydrate, malononitrile, and isatines in aqueous media. The reaction was done at room temperature and the spiro[indoline‐3,4′‐pyrano[2,3‐c]pyrazole]‐5′‐carbonitriles were obtained with high yields and purity via an easy work‐up procedure. These compounds were also investigated in vitro for antibacterial activities. J. Heterocyclic Chem., (2010).

  DOI：

  10.1002/jhet.437

文献信息

• A clean and one-pot synthesis of spiroindoline-pyranopyrazoles
  作者：Somayeh Ahadi、Zahra Yasaei、Ayoob Bazgir

  DOI：10.1002/jhet.437

  日期：——

  Abstract magnified image Piperidine catalyzes efficiently the one‐pot, four‐component reaction of β‐ketoesters, hydrazine hydrate, malononitrile, and isatines in aqueous media. The reaction was done at room temperature and the spiro[indoline‐3,4′‐pyrano[2,3‐c]pyrazole]‐5′‐carbonitriles were obtained with high yields and purity via an easy work‐up procedure. These compounds were also investigated in vitro for antibacterial activities. J. Heterocyclic Chem., (2010).