5-(4-methoxyphenyl)-6-phenylpyridazin-3(2H)-one | 433330-64-4

• 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-(4-methoxyphenyl)-6-phenylpyridazin-3(2H)-one
• 英文别名: 4-(4-methoxyphenyl)-3-phenyl-1H-pyridazin-6-one
• CAS: 433330-64-4
• 化学式: C₁₇H₁₄N₂O₂
• 分子量: 278.31
• InChiKey: AASMWTRNGJBDTL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  50.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-(4-methoxyphenyl)-6-phenylpyridazin-3(2H)-one 在 三氯氧磷 作用下， 反应 3.0h， 生成 N-hexyl-5-(4-methoxyphenyl)-6-phenylpyridazin-3-amine
  参考文献：
  名称：

  Mono- and Di-substituted 5,6-Diphenyl-3-alkylaminopyridazines Active as ACAT Inhibitors

  摘要：

  A series of mono- or di-para-substituted 5,6-diphenyl-3-alkylaminopyridazines were synthesized and their inhibitory activity against acylCoA:cholesterol acyltransferase (ACAT) was tested on the enzyme prepared from rat liver microsomes. The compound which combines a chlorine atom on the 6-phenyl ring and a n-hexylamino chain showed a significant enhancement of activity with respect to the unsubstituted derivative. Attempts to correlate the activity of the compounds to their structural features, also through theoretical calculations, are reported.

  DOI：

  10.3987/com-01-9351
• 作为产物：
  描述：

  5-溴-6-苯基-3(2H)-吡嗪酮 在 四(三苯基膦)钯 sodium carbonate 、 溶剂黄146 、 三氯氧磷 作用下， 以 乙二醇二甲醚 为溶剂， 生成 5-(4-methoxyphenyl)-6-phenylpyridazin-3(2H)-one
  参考文献：
  名称：

  哒嗪类。第 26 部分：4-溴-6-氯-3-苯基哒嗪的高效和区域选择性 Pd 催化芳基化

  摘要：

  4-bromo-6-chloro-3-phenylpyridazine 4-bromo-6-chloro-3-phenylpyridazine 的区域选择性芳基化已经使用 Suzuki 交叉偶联反应进行。该路线允许获得一系列广泛的药理学有用的哒嗪衍生物，并证实了氯哒嗪在涉及 5-溴-3(2H)-哒嗪酮的交叉偶联反应中作为羰基部分的掩蔽基团的有用性。

  DOI：

  10.1055/s-2002-19761

文献信息

• Pyridazines. Part 35:Traceless Solid PhaseSynthesis of 4,5- and 5,6-Diaryl-3(2<i>H</i>)-pyridazinones
  作者：Enrique Raviña、Eddy Sotelo

  DOI：10.1055/s-2003-39882

  日期：——

  A new method for the traceless solid phase synthesis of 3(2H)-pyridazinones has been developed employing dihydropyran-functionalized resin. The procedure has permitted the preparation of several diarylpyridazinones through a Suzuki cross-coupling reaction and cleavage conditions that promoted a retro-ene fragmentation.

  利用二氢吡喃功能化树脂开发了一种无痕固相合成 3(2H)-哒嗪酮的新方法。该方法通过铃木交叉偶联反应和促进逆烯碎片的裂解条件，制备出了多种二芳基哒嗪酮。
• Discovery of a new series of potent prostacyclin receptor agonists with in vivo activity in rat
  作者：Thuy-Anh Tran、Young-Jun Shin、Bryan Kramer、Juyi Choi、Ning Zou、Pureza Vallar、Peter Martens、P. Douglas Boatman、John W. Adams、Juan Ramirez、Yunqing Shi、Michael Morgan、David J. Unett、Steve Chang、Hsin-Hui Shu、Shiu-Feng Tung、Graeme Semple

  DOI：10.1016/j.bmcl.2015.01.024

  日期：2015.3

  The design and synthesis of two closely related series of prostacyclin receptor agonist compounds that showed excellent human IP receptor potency and efficacy is described. Compounds from this series showed in vivo activity after SC dosing in the monocrotaline model of PAH in rat. (C) 2015 Elsevier Ltd. All rights reserved.