3-(4-Chlorophenyl)-2,4,5,6-tetrahydrocyclopenta[c]pyrazole

• 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-(4-Chlorophenyl)-2,4,5,6-tetrahydrocyclopenta[c]pyrazole
• 英文别名: 3-(4-chlorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
• 化学式: C₁₂H₁₁ClN₂
• 分子量: 218.686
• InChiKey: GDOOAZBXNLWPMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  4-氯苯甲醛 、 cyanoacetic acid cyclopentylidene hydrazide 在 sodium acetate 作用下， 以 溶剂黄146 为溶剂， 反应 3.0h， 以79%的产率得到3-(4-Chlorophenyl)-2,4,5,6-tetrahydrocyclopenta[c]pyrazole
  参考文献：
  名称：

  A new synthesis for 1,2,4-triazolo[1,5-a]-pyridines and 1,2,4-triazolo[1,5-a]isoquinolines

  摘要：

  Condensation of cyano acid hydrazide 1 with cyclopentanone in refluxing ethanolic piperidine yields hydrazone 2. With mixtures of aliphatic aldehydes and different active methylene reagents, 2 reacts to 1,2,4-triazolo[1,5-a]pyridines (8a-f). Compound 2 also reacts with arylidenes 9a-g to give triazolopyridines 10a-g. Reaction of 2 with aromatic aldehydes affords compounds 13a-c. Diazotation of 2 with aryldiazonium chloride in ethanol at 0 degrees C leads to the azo adducts 15a-d. The thieno-1,2,4-triazolopyridine 16 is obtained by reaction of 8a with elementary sulfur. 16 undergoes cycloaddition with omega-nitrostyrene, maleic anhydride, N-arylmalemide, and acrylonitrile yielding the isoquinolines 21-24. All new compounds have been characterized by their IR, H-1 NMR, and mass spectra.

  DOI：

  10.1007/bf00844690

文献信息

• Hussein; Sherif; Atalla, Polish Journal of Chemistry, 1996, vol. 70, # 7, p. 872 - 879
  作者：Hussein、Sherif、Atalla

  DOI：——

  日期：——