4-[3,4-Bis-(4-chloro-phenyl)-5-cyano-6-oxo-6H-pyridazin-1-yl]-butyric acid ethyl ester | 75643-51-5

• 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: 4-[3,4-Bis-(4-chloro-phenyl)-5-cyano-6-oxo-6H-pyridazin-1-yl]-butyric acid ethyl ester
• 英文别名: 1(6H)-Pyridazinebutanoic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, ethyl ester；ethyl 4-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxopyridazin-1-yl]butanoate
• CAS: 75643-51-5
• 化学式: C₂₃H₁₉Cl₂N₃O₃
• 分子量: 456.328
• InChiKey: NQJXTTSFYQHHSG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  82.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-[3,4-Bis-(4-chloro-phenyl)-5-cyano-6-oxo-6H-pyridazin-1-yl]-butyric acid ethyl ester 在 sodium carbonate 作用下， 以 乙醇 、 水 为溶剂， 反应 8.0h， 以29%的产率得到4-[4'-cyano-5',6'-bis(p-chlorophenyl)pyridazin-3'-one-2'-yl]butyric 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
• 作为产物：
  描述：

  5,6-bis(4-chlorophenyl)-3-oxo-2,3-dihydropyridazine-4-carbonitrile 、 alkaline earth salt of/the/ methylsulfuric acid 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以17%的产率得到4-[3,4-Bis-(4-chloro-phenyl)-5-cyano-6-oxo-6H-pyridazin-1-yl]-butyric acid ethyl ester
  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

• 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：——
• 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.