5-(3-methoxyphenyl)-1-methylpyrazole | 144026-75-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(3-methoxyphenyl)-1-methylpyrazole
• 英文别名: 5-(3-Methoxyphenyl)-1-methyl-1H-pyrazole
• CAS: 144026-75-5
• 化学式: C₁₁H₁₂N₂O
• 分子量: 188.229
• InChiKey: CSFBLJAAHBCORO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-(3-methoxyphenyl)-1-methylpyrazole 、 palladium dichloride 在 水 作用下， 以 甲醇 为溶剂， 以80%的产率得到trans-dichloro{bis(5-(3-methoxyphenyl)-1-methylpyrazole)}palladium(II)
  参考文献：
  名称：

  Palladium(II) coordination and cyclometallated complexes derived from 3- and 5-aryl-substituted pyrazoles

  摘要：

  Palladium(II) coordination complexes of nine 3- or 5-arylpyrazoles (phenyl, 2-bromophenyl, or 3-methoxyphenyl), as well as of 3,5-diphenylpyrazole, are reported. A cis-trans mixture of [PdL2Cl2] isomers is found in the case of 3-aryl-1-methylpyrazoles, the cis-isomers being transformed into trans by heating. Only trans isomers are isolated with the other ligands. Cyclopalladation of 3-aryl-1-methyl-pyrazoles can be performed with palladium(II) acetate, and the resultant mu-acetate bridged dimers can be transformed into mu-chloro bridged dimers or acetylacetonate monomers. The structures of the complexes have been characterized by H-1- and C-13-NMR spectroscopy.

  DOI：

  10.1016/0022-328x(92)83269-n
• 作为产物：
  描述：

  甲基肼盐酸盐 、 3-甲氧基苯乙酮 、 甲酸乙酯 在 sodium methylate 作用下， 生成 3-(3-methoxyphenyl)-1-methylpyrazole 、 5-(3-methoxyphenyl)-1-methylpyrazole
  参考文献：
  名称：

  Palladium(II) coordination and cyclometallated complexes derived from 3- and 5-aryl-substituted pyrazoles

  摘要：

  Palladium(II) coordination complexes of nine 3- or 5-arylpyrazoles (phenyl, 2-bromophenyl, or 3-methoxyphenyl), as well as of 3,5-diphenylpyrazole, are reported. A cis-trans mixture of [PdL2Cl2] isomers is found in the case of 3-aryl-1-methylpyrazoles, the cis-isomers being transformed into trans by heating. Only trans isomers are isolated with the other ligands. Cyclopalladation of 3-aryl-1-methyl-pyrazoles can be performed with palladium(II) acetate, and the resultant mu-acetate bridged dimers can be transformed into mu-chloro bridged dimers or acetylacetonate monomers. The structures of the complexes have been characterized by H-1- and C-13-NMR spectroscopy.

  DOI：

  10.1016/0022-328x(92)83269-n