3'-amino-5'-(4-chlorophenyl)-7'-methyl-2-oxo-2H,5'H-spiro[acenaphthylene-1,1'-pyrano[2,3-c]pyrazole]-2'-carbonitrile | 1240347-81-2

• 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'-(4-chlorophenyl)-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'-(4-chlorophenyl)-3'-methyl-2-oxospiro[acenaphthylene-1,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
• CAS: 1240347-81-2
• 化学式: C₂₅H₁₅ClN₄O₂
• 分子量: 438.873
• InChiKey: SLCHXPQLHXLJBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  32
• 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：
  93.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-(4-氯苯基)-3-甲基-2-吡唑啉-5-酮 、 丙二腈 、 苊醌 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以75%的产率得到3'-amino-5'-(4-chlorophenyl)-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

• Basic Ionic Liquid-Catalyzed One-Pot Synthesis of the Spiroacenaphthylene Derivatives in Water Medium
  作者：Jia Zheng、Yiqun Li

  DOI：10.1016/j.mencom.2012.05.012

  日期：2012.5

  The basic ionic liquid (benzyl)(dimethyl)(N,N-dimethylaminoethyl)ammonium chloride was found to be an efficient and reusable catalyst for the synthesis of spiroacenaphthylenes via the multicomponent reaction between acenaphthenequinone, malononitrile and alpha-methylenecarbonyl compounds (beta-diketones, pyrazolones) in water.