4-chloro-5-phenoxy-2-phenyl-3(2H)-pyridazinone | 42190-50-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-chloro-5-phenoxy-2-phenyl-3(2H)-pyridazinone
• 英文别名: 4-chloro-5-phenoxy-2-phenyl-2H-pyridazin-3-one；4-Chloro-5-phenoxy-2-phenylpyridazin-3-one
• CAS: 42190-50-1
• 化学式: C₁₆H₁₁ClN₂O₂
• 分子量: 298.729
• InChiKey: JDMPNDZQOAKOIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-苯基-4,5-二氯-6-哒酮 、 苯酚 在 sodium hydroxide 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以82%的产率得到4-chloro-5-phenoxy-2-phenyl-3(2H)-pyridazinone
  参考文献：
  名称：

  Lyga, John W., Journal of Heterocyclic Chemistry, 1988, vol. 25, p. 1757 - 1760

  摘要：

  DOI：

文献信息

• Efficient N-arylation of pyridazin-3(2H)-ones
  作者：Jeum-Jong Kim、Yong-Dae Park、Su-Dong Cho、Ho-Kyun Kim、Hyun A. Chung、Sang-Gyeong Lee、J.R. Falck、Yong-Jin Yoon

  DOI：10.1016/j.tetlet.2004.10.003

  日期：2004.11

  A variety of substituted pyridazin-3(2H)-ones are directly N-arylated in good yield using lead tetraacetate/zinc chloride in benzene or in substituted benzenes including chloro- and bromobenzene. (C) 2004 Elsevier Ltd. All rights reserved.
• LYGA, JOHN W., J. HETEROCYCL. CHEM., 25,(1988) N, C. 1757-1760
  作者：LYGA, JOHN W.

  DOI：——

  日期：——
• [EN] SORTASE A INHIBITORS<br/>[FR] INHIBITEURS DE LA SORTASE A
  申请人：UNIV CALIFORNIA

  公开号：WO2011028492A2

  公开（公告）日：2011-03-10

  Bacterial infections, including Methicillin resistant Staphylococcus aureus (MRSA) infections are a major health problem that has created a pressing need for new antibiotics. Pyridazinone, rhodanine, and pyrazolethione compounds effective inhibit the enzymatic activity of sortase A (srtA) found in gram positive bacteria are disclosed. A structure activity relationship (SAR) analysis led to the identification of several pyridazinone and pyrazolethione analogs that inhibit SrtA with IC50 values in the sub-micromolar range. Compounds that inhibit the S. aureus SrtA sortase may function as potent anti-infective agents as this enzyme attaches virulence factors to the cell wall. Many of these molecules also inhibit the sortase enzyme from B. anthracis suggesting that they may be generalized sortase inhibitors. The novel compounds, compositions, uses, formulations, medicaments, articles of manufacture provide improved materials, uses, and treatments useful in combating infectious disorders.
• Lyga, John W., Journal of Heterocyclic Chemistry, 1988, vol. 25, p. 1757 - 1760
  作者：Lyga, John W.

  DOI：——

  日期：——