4-Pyridazinecarbonitrile, 5,6-bis(4-fluorophenyl)-2,3-dihydro-3-oxo- | 82231-95-6

• 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: 4-Pyridazinecarbonitrile, 5,6-bis(4-fluorophenyl)-2,3-dihydro-3-oxo-
• 英文别名: 3,4-bis(4-fluorophenyl)-6-oxo-1H-pyridazine-5-carbonitrile
• CAS: 82231-95-6
• 化学式: C₁₇H₉F₂N₃O
• 分子量: 309.275
• InChiKey: LEQVTXQNVDXMST-UHFFFAOYSA-N

物化性质

• 密度：
  1.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  65.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  碳酸乙烯酯 、 4-Pyridazinecarbonitrile, 5,6-bis(4-fluorophenyl)-2,3-dihydro-3-oxo- 在 氢氧化钾 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.5h， 以62%的产率得到4-Pyridazinecarbonitrile, 5,6-bis(4-fluorophenyl)-2,3-dihydro-2-(2-hydroxyethyl)-3-oxo-
  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

• Herbicidal and plant growth regulant diphenylpyridazinones
  申请人：DIAMOND SHAMROCK CORPORATION

  公开号：EP0046069A1

  公开（公告）日：1982-02-17

  Novel compounds of the general formula as well as novel compositions thereof and methods of using same are described. These compounds have been found to be valuable for controlling. modifying and inhibiting the growth of plants.

  本文描述了通式的新型化合物及其新型组合物和使用方法，发现这些化合物在控制、改变和抑制植物生长方面具有重要价值。
• 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.