[5-Acetyl-3,4-bis-(4-chloro-phenyl)-6-oxo-6H-pyridazin-1-yl]-acetic acid | 75643-78-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: [5-Acetyl-3,4-bis-(4-chloro-phenyl)-6-oxo-6H-pyridazin-1-yl]-acetic acid
• 英文别名: 2-[5-Acetyl-3,4-bis(4-chlorophenyl)-6-oxopyridazin-1-yl]acetic acid
• CAS: 75643-78-6
• 化学式: C₂₀H₁₄Cl₂N₂O₄
• 分子量: 417.248
• InChiKey: AWHBHIKDELNPMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  87
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  [5-Acetyl-3,4-bis-(4-chloro-phenyl)-6-oxo-6H-pyridazin-1-yl]-acetic acid 、 disodium;carbonate 以53%的产率得到
  参考文献：
  名称：

  BUCHMAN R.; SCOZZIE J. A.; AKIYAN Z. S.; HEILMAN R. D.; RIPPIN D. J.; PYN+, J. MED. CHEM., 1980, 23, NO 12, 1398-1405

  摘要：

  DOI：
• 作为产物：
  描述：

  Ethyl-4-[4'-Acetyl-5',6'-Bis(p-Chlorophenyl)Pyridazin-3'-One-2'-yl]Butyrate 在 sodium carbonate 作用下， 以 乙醇 、 水 为溶剂， 反应 8.0h， 以45%的产率得到[5-Acetyl-3,4-bis-(4-chloro-phenyl)-6-oxo-6H-pyridazin-1-yl]-acetic acid
  参考文献：
  名称：

  Antihypertensive 5,6-diarylpyridazin-3-ones

  摘要：

  The synthesis of a series of 5,6-diarylpyridazinones is described. Some members of this series display an antihypertensive effect in both the spontaneously hypertensive rat (SHR) model and the deoxycorticosteroid (DOCA) model of hypertension. The most potent compounds in the series have halogen substituents on the 5,6-diphenyl rings, a beta-substituted alkyl group at the 2 position of the ring, and acetyl or cyano substituent at the 4 position.

  DOI：

  10.1021/jm00186a021

文献信息

• Antihypertensive 5,6-diarylpyridazin-3-ones
  作者：Russell Buchman、James A. Scozzie、Zaven S. Ariyan、Richard D. Heilman、Donna J. Rippin、W. J. Pyne、Larry J. Powers、Richard J. Matthews

  DOI：10.1021/jm00186a021

  日期：1980.12

  The synthesis of a series of 5,6-diarylpyridazinones is described. Some members of this series display an antihypertensive effect in both the spontaneously hypertensive rat (SHR) model and the deoxycorticosteroid (DOCA) model of hypertension. The most potent compounds in the series have halogen substituents on the 5,6-diphenyl rings, a beta-substituted alkyl group at the 2 position of the ring, and acetyl or cyano substituent at the 4 position.
• BUCHMAN R.; SCOZZIE J. A.; AKIYAN Z. S.; HEILMAN R. D.; RIPPIN D. J.; PYN+, J. MED. CHEM., 1980, 23, NO 12, 1398-1405
  作者：BUCHMAN R.、 SCOZZIE J. A.、 AKIYAN Z. S.、 HEILMAN R. D.、 RIPPIN D. J.、 PYN+

  DOI：——

  日期：——