1-[(2-hydroxyphenyl)-[5-methyl-3-(methylcarbamoyl)pyrazol-1-yl]methyl]-N,5-dimethylpyrazole-3-carboxamide | 677034-92-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-[(2-hydroxyphenyl)-[5-methyl-3-(methylcarbamoyl)pyrazol-1-yl]methyl]-N,5-dimethylpyrazole-3-carboxamide
• CAS: 677034-92-3
• 化学式: C₁₉H₂₂N₆O₃
• 分子量: 382.422
• InChiKey: DZUVHILZYZESLO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  114
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  cobalt(II) tetrafluoroborate hexahydrate 、 1-[(2-hydroxyphenyl)-[5-methyl-3-(methylcarbamoyl)pyrazol-1-yl]methyl]-N,5-dimethylpyrazole-3-carboxamide 、 N,N-二甲基甲酰胺 在 KH 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以68%的产率得到
  参考文献：
  名称：

  New heteroscorpionate ligands with hydrogen bond donor and acceptor groups: synthesis, characterization and reactivity with divalent Co, Zn and Ni ions

  摘要：

  Three new N2O heteroscorpionate ligands designated L60H, L70H and L90H, containing either appended hydrogen bond donating or accepting residues have been synthesized and characterized. Metal complexes of these ligands with Co(II) and Ni(II) have been characterized by X-ray crystallography. A facile decomposition pathway leading to C-N bond cleavage and isolation of metal pyrazole complexes was also identified. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2003.11.007

文献信息

• New heteroscorpionate ligands with hydrogen bond donor and acceptor groups: synthesis, characterization and reactivity with divalent Co, Zn and Ni ions
  作者：Zahida Shirin、Carl J. Carrano

  DOI：10.1016/j.poly.2003.11.007

  日期：2004.1

  Three new N2O heteroscorpionate ligands designated L60H, L70H and L90H, containing either appended hydrogen bond donating or accepting residues have been synthesized and characterized. Metal complexes of these ligands with Co(II) and Ni(II) have been characterized by X-ray crystallography. A facile decomposition pathway leading to C-N bond cleavage and isolation of metal pyrazole complexes was also identified. (C) 2003 Elsevier Ltd. All rights reserved.