4-Chloro-2-(2-ethoxyethoxy)-1-nitrobenzene | 1310714-75-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-Chloro-2-(2-ethoxyethoxy)-1-nitrobenzene
• 英文别名: 4-chloro-2-(2-ethoxyethoxy)-1-nitrobenzene
• CAS: 1310714-75-0
• 化学式: C₁₀H₁₂ClNO₄
• 分子量: 245.663
• InChiKey: CCAMCAGNZMCJKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  64.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-Chloro-2-(2-ethoxyethoxy)-1-nitrobenzene 在 盐酸 、 bis-triphenylphosphine-palladium(II) chloride 、 铁粉 、 potassium carbonate 、 三乙胺 作用下， 以 1,4-二氧六环 、 乙醇 、 二氯甲烷 、 二乙二醇二甲醚 、 水 为溶剂， 反应 103.5h， 生成 1-Benzylsulfonyl-4-[2-(2-ethoxyethoxy)-4-phenyl-phenyl]piperazine
  参考文献：
  名称：

  SAR studies of pyridazinone derivatives as novel glucan synthase inhibitors

  摘要：

  A novel series of pyridazinone analogs has been developed as potent beta-1,3-glucan synthase inhibitors through structure-activity relationship study of the lead 5-[4-(benzylsulfonyl)piperazin-1-yl]-4-morpholino-2-phenyl-pyridazin-3(2H)-one (1). The effect of changes to the core structure is described in detail. Optimization of the sulfonamide moiety led to the identification of important compounds with much improved systematic exposure while retaining good antifungal activity against the fungal strains Candida glabrata and Candida albicans. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2011.03.083
• 作为产物：
  描述：

  2,4-二氯硝基苯 在 三苯基膦 、 potassium hydroxide 、 叔丁醇 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 反应 22.0h， 生成 4-Chloro-2-(2-ethoxyethoxy)-1-nitrobenzene
  参考文献：
  名称：

  SAR studies of pyridazinone derivatives as novel glucan synthase inhibitors

  摘要：

  A novel series of pyridazinone analogs has been developed as potent beta-1,3-glucan synthase inhibitors through structure-activity relationship study of the lead 5-[4-(benzylsulfonyl)piperazin-1-yl]-4-morpholino-2-phenyl-pyridazin-3(2H)-one (1). The effect of changes to the core structure is described in detail. Optimization of the sulfonamide moiety led to the identification of important compounds with much improved systematic exposure while retaining good antifungal activity against the fungal strains Candida glabrata and Candida albicans. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2011.03.083

文献信息

• SAR studies of pyridazinone derivatives as novel glucan synthase inhibitors
  作者：Gang Zhou、Pauline C. Ting、Robert Aslanian、Jianhua Cao、David W. Kim、Rongze Kuang、Joe F. Lee、John Schwerdt、Heping Wu、R. Jason Herr、Andrew J. Zych、Jinhai Yang、Sang Lam、Samuel Wainhaus、Todd A. Black、Paul M. McNicholas、Yiming Xu、Scott S. Walker

  DOI：10.1016/j.bmcl.2011.03.083

  日期：2011.5

  A novel series of pyridazinone analogs has been developed as potent beta-1,3-glucan synthase inhibitors through structure-activity relationship study of the lead 5-[4-(benzylsulfonyl)piperazin-1-yl]-4-morpholino-2-phenyl-pyridazin-3(2H)-one (1). The effect of changes to the core structure is described in detail. Optimization of the sulfonamide moiety led to the identification of important compounds with much improved systematic exposure while retaining good antifungal activity against the fungal strains Candida glabrata and Candida albicans. Published by Elsevier Ltd.