dimethyl 4,4'-((4-chlorophenyl)methylene)bis(1-(4-bromophenyl)-5-hydroxy-1H-pyrazole-3-carboxylate) | 1380413-98-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: dimethyl 4,4'-((4-chlorophenyl)methylene)bis(1-(4-bromophenyl)-5-hydroxy-1H-pyrazole-3-carboxylate)
• CAS: 1380413-98-8
• 化学式: C₂₉H₂₁Br₂ClN₄O₆
• 分子量: 716.77
• InChiKey: MFEUOARFYHSLIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  42.0
• 可旋转键数：
  7.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  128.7
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  4-氯苯甲醛 、 丁炔二酸二甲酯 、 对溴苯肼 在 溶剂黄146 作用下， 反应 0.42h， 以84%的产率得到dimethyl 4,4'-((4-chlorophenyl)methylene)bis(1-(4-bromophenyl)-5-hydroxy-1H-pyrazole-3-carboxylate)
  参考文献：
  名称：

  Multicomponent domino reactions of acetylenedicarboxylates: divergent synthesis of multi-functionalized pyrazolones and C-tethered bispyrazol-5-ols

  摘要：

  An efficient and practical methodology of selectively divergent synthesis of arylidene pyrazolones and C-tethered bispyrazol-5-ols via multicomponent domino reactions of acetylenedicarboxylates, phenylhydrazine and aromatic aldehydes has been developed. The electron-donating aryl groups (EDAG)-attached aldehydes resulted in the pyrazolone skeleton, whereas the electron-withdrawing aryl groups (EWAG) led to the C-tethered bispyrazol-5-ols with simultaneous formation of two new pyrazole rings. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.04.051