3'-amino-5'-(2,4-dinitrophenyl)-7'-methyl-2-oxo-2H,5'H-spiro[acenaphthylene-1,1'-pyrano[2,3-c]pyrazole]-2'-carbonitrile | 1240347-82-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3'-amino-5'-(2,4-dinitrophenyl)-7'-methyl-2-oxo-2H,5'H-spiro[acenaphthylene-1,1'-pyrano[2,3-c]pyrazole]-2'-carbonitrile
• 英文别名: 6'-Amino-1'-(2,4-dinitrophenyl)-3'-methyl-2-oxospiro[acenaphthylene-1,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
• CAS: 1240347-82-3
• 化学式: C₂₅H₁₄N₆O₆
• 分子量: 494.423
• InChiKey: BAWSAQZLSWMNQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  37
• 可旋转键数：
  1
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  186
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  1-(2,4-dinitrophenyl)-3-methyl-1H-pyrazol-5(4H)-one 、 丙二腈 、 苊醌 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以65%的产率得到3'-amino-5'-(2,4-dinitrophenyl)-7'-methyl-2-oxo-2H,5'H-spiro[acenaphthylene-1,1'-pyrano[2,3-c]pyrazole]-2'-carbonitrile
  参考文献：
  名称：

  One-pot three-component synthesis of the spiroacenaphthylene derivatives

  摘要：

  A facile and efficient one-pot three-component synthesis of the spiroacenaphthylene derivatives was achieved, via the reaction of acenaphthequinone, malononitrile/ethylcyanoacetate and various reagents including alpha-methylencarbonyl compounds/enols. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.05.067

文献信息

• One-pot three-component synthesis of the spiroacenaphthylene derivatives
  作者：Mina Saeedi、Majid M. Heravi、Yahya S. Beheshtiha、Hossein A. Oskooie

  DOI：10.1016/j.tet.2010.05.067

  日期：2010.7

  A facile and efficient one-pot three-component synthesis of the spiroacenaphthylene derivatives was achieved, via the reaction of acenaphthequinone, malononitrile/ethylcyanoacetate and various reagents including alpha-methylencarbonyl compounds/enols. (C) 2010 Elsevier Ltd. All rights reserved.