5'-(4-chlorophenyl)-1'-methylspiro[fluorene-9,3'-pyrrolidine]-4',4'-dicarbonitrile | 1070972-46-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 5'-(4-chlorophenyl)-1'-methylspiro[fluorene-9,3'-pyrrolidine]-4',4'-dicarbonitrile
• CAS: 1070972-46-1
• 化学式: C₂₅H₁₈ClN₃
• 分子量: 395.891
• InChiKey: GCYRVVYGLXKYNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.33
• 重原子数：
  29.0
• 可旋转键数：
  1.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  50.82
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  肌氨酸 、 9-(二氰基亚甲基)芴 、 4-氯苯甲醛 以 甲苯 为溶剂， 反应 8.0h， 以68%的产率得到5'-(4-chlorophenyl)-1'-methylspiro[fluorene-9,3'-pyrrolidine]-4',4'-dicarbonitrile
  参考文献：
  名称：

  Cycloaddition reactions of azomethine ylides with a 9-fluorenone-malononitrile Knöevenagel adduct

  摘要：

  Numerous derivatives of spiropyrrolidines and spiropyrrolizines containing cyano groups were Successfully synthesized via condensation of sarcosine and proline Schiff bases of several aromatic aldehydes with the Knoevenagel adduct of 9-fluorenone-malononitrile prepared through a modified procedure. Assignment of the molecular structure was carried Out by single crystal X-ray diffraction, as well as by HMBC and ROSEY spectroscopy. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.07.127