2-(2'-Hydroxyethyl)-4-cyano-5,6-di-(4-chlorophenyl)-3-(2H)-pyridazinone | 75644-05-2

• 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: 2-(2'-Hydroxyethyl)-4-cyano-5,6-di-(4-chlorophenyl)-3-(2H)-pyridazinone
• 英文别名: 2-(2'-hydroxyethyl)-4-cyano-5,6-bis(p-chlorophenyl)-2H-pyridazin-3-one；4-Pyridazinecarbonitrile, 5,6-bis(4-chlorophenyl)-2,3-dihydro-2-(2-hydroxyethyl)-3-oxo-；5,6-bis(4-chlorophenyl)-2-(2-hydroxyethyl)-3-oxopyridazine-4-carbonitrile
• CAS: 75644-05-2
• 化学式: C₁₉H₁₃Cl₂N₃O₂
• 分子量: 386.237
• InChiKey: XYKMDIKOEHWYBP-UHFFFAOYSA-N

物化性质

• 熔点：
  122-123 °C
• 沸点：
  543.5±60.0 °C(Predicted)
• 密度：
  1.38±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  76.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(2'-Hydroxyethyl)-4-cyano-5,6-di-(4-chlorophenyl)-3-(2H)-pyridazinone 在 吡啶 、 三氯氧磷 作用下， 以 1,4-二氧六环 为溶剂， 反应 4.0h， 以45%的产率得到2-(2-chloroethyl)-5,6-bis(4-chlorophenyl)-2,3-dihydro-3-oxo-4-pyridazinecarbonitrile
  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：

  碳酸乙烯酯 、 5,6-bis(4-chlorophenyl)-3-oxo-2,3-dihydropyridazine-4-carbonitrile 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61%的产率得到2-(2'-Hydroxyethyl)-4-cyano-5,6-di-(4-chlorophenyl)-3-(2H)-pyridazinone
  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

• Pyridazin (2H)-3-ones, process for their preparation and their use in antihypertensive agents
  申请人：DIAMOND SHAMROCK CORPORATION

  公开号：EP0018063A1

  公开（公告）日：1980-10-29

  Substituted keto-pyridazine compounds of the formula where R, and R7 are substituents selected from atoms and groups as listed in the disclosure and X and Y denote the same or different optional substituents also selected as listed in the disclosure, are new compounds which are useful antihypertensive agents. The methods of preparation and properties of examples of the compounds are given, together with their use as antihypertensive agents.

  式中的取代酮哒嗪化合物 其中 R 和 R7 是选自公开文献中所列原子和基团的取代基，X 和 Y 表示相同或不同的任选取代基，也选自公开文献中所列基团。本文给出了这些化合物的制备方法和性质实例，以及它们作为降压药的用途。
• 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：——
• US4238490A
  申请人：——

  公开号：US4238490A

  公开（公告）日：1980-12-09
• US4545810A
  申请人：——

  公开号：US4545810A

  公开（公告）日：1985-10-08