3-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrazole | 171817-42-8

• 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-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrazole
• CAS: 171817-42-8
• 化学式: C₁₂H₁₄N₂O₂
• 分子量: 218.255
• InChiKey: AWBWRJSWVRSNBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  47.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (S)-N,N-dimethyl-1-[(R)-2-(diphenylphosphino)-ferrocenyl]ethylamine 、 3-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrazole 以 溶剂黄146 为溶剂， 以19%的产率得到1-((S)-1-[(R)-2-(diphenylphosphino)ferrocenyl]ethyl)-3-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrazole
  参考文献：
  名称：

  含吡唑的二茂铁基配体的合成和结构不对称催化

  摘要：

  A series of new chiral ferrocenyl chelating ligands containing a tertiary phosphine and a pyrazole moiety (3) have been obtained in moderate to good yields from the reaction of the corresponding phosphinoferrocenyl amine derivatives 1a-k with the 1H-pyrazoles 2a-w in acetic acid at temperatures between 70 and 90 degrees C. For unsymmetrically substituted pyrazoles a remarkable site selectivity is observed, leading in most cases to only one regioisomer. Six compounds have been characterized by X-ray diffraction and were found to display very similar conformational features.

  DOI：

  10.1021/om00011a069