ethyl-1-(2-bromoethyl)-3-ferrocenyl-1H-pyrazole-5-carboxylate | 1005178-84-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl-1-(2-bromoethyl)-3-ferrocenyl-1H-pyrazole-5-carboxylate
• 英文别名: cyclopenta-1,3-diene;ethyl 2-(2-bromoethyl)-5-cyclopenta-1,3-dien-1-ylpyrazole-3-carboxylate;iron(2+)
• CAS: 1005178-84-6
• 化学式: C₁₈H₁₉BrFeN₂O₂
• 分子量: 431.112
• InChiKey: GWXKNAONIPRTIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.24
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl-1-(2-bromoethyl)-3-ferrocenyl-1H-pyrazole-5-carboxylate 、 4-叔-丁基苄胺 在 potassium iodide 作用下， 以 乙腈 为溶剂， 以42%的产率得到5-CH2C6H4C(CH3)3-2-ferrocenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
  参考文献：
  名称：

  Synthesis, structure characterization and preliminary biological evaluation of novel 5-alkyl-2-ferrocenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one derivatives

  摘要：

  A series of novel 5-alkyl-2-ferrocenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one derivatives were synthesized by the reaction of ethyl 1-(2-bromoethyl)-3-ferrocenyl-1H-pyrazole-5-carboxylate with non-aromatic primary amines in one-pot procedure and characterized by H-1 NMR, C-13 NMR, IR, HRMS and X-ray diffraction analysis. The effects of all the compounds on A549 cell growth were investigated. The results showed that all compounds had almost inhibitory effects on the growth of A549 cells. (c) 2008 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.01.043
• 作为产物：
  描述：

  ethyl 3-ferrocenyl-1H-pyrazole-5-carboxylate 、 1,2-二溴乙烷 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 以57%的产率得到ethyl-1-(2-bromoethyl)-3-ferrocenyl-1H-pyrazole-5-carboxylate
  参考文献：
  名称：

  Synthesis, structure characterization and preliminary biological evaluation of novel 5-alkyl-2-ferrocenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one derivatives

  摘要：

  A series of novel 5-alkyl-2-ferrocenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one derivatives were synthesized by the reaction of ethyl 1-(2-bromoethyl)-3-ferrocenyl-1H-pyrazole-5-carboxylate with non-aromatic primary amines in one-pot procedure and characterized by H-1 NMR, C-13 NMR, IR, HRMS and X-ray diffraction analysis. The effects of all the compounds on A549 cell growth were investigated. The results showed that all compounds had almost inhibitory effects on the growth of A549 cells. (c) 2008 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.01.043

文献信息

• Ferrocenylpyrazolyl palladium complexes as catalysts for the polymerisation of 1-heptene and 1-octene to highly branched polyolefins
  作者：Collins Obuah、Apollinaire Munyaneza、Ilia A. Guzei、James Darkwa

  DOI：10.1039/c4dt00931b

  日期：——

  (Ferrocenylpyrazolyl)palladium complexes that catalyse the polymerization of 1-heptene and 1-octene to highly branched polyolefins are reported.

  报道了催化1-庚烯和1-辛烯聚合成高度分支聚烯烃的(二茂铁吡唑基)钯配合物。