4-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenol | 1039861-31-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenol
• CAS: 1039861-31-8
• 化学式: C₁₄H₈Cl₂N₂O₂
• 分子量: 307.136
• InChiKey: WYLYSIWIPFCZJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.42
• 重原子数：
  20.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  59.15
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenol 在 三乙烯二胺 、 乙酸酐 、 二甲基亚砜 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-[3-[4-[5-(3,4-Dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-oxopropoxy]benzoic acid
  参考文献：
  名称：

  Synthesis and evaluation of substrate-mimicking cytosolic phospholipase A 2 inhibitors––reducing the lipophilicity of the arachidonyl chain isostere

  摘要：

  The high lipophilicity of a series of cytosolic phospholipase A(2) inhibitors has been reduced by the modification of a decyloxyphenyl chain designed to mimic the arachidonyl group of the natural substrate. These changes have resulted in an improvement in the whole cell potency of the inhibitors. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.05.024
• 作为产物：
  描述：

  3,4-二氯苯甲酰氯 、 (Z)-N',4-dihydroxybenzimidamide 在 吡啶 作用下， 生成 4-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenol
  参考文献：
  名称：

  Synthesis and evaluation of substrate-mimicking cytosolic phospholipase A 2 inhibitors––reducing the lipophilicity of the arachidonyl chain isostere

  摘要：

  The high lipophilicity of a series of cytosolic phospholipase A(2) inhibitors has been reduced by the modification of a decyloxyphenyl chain designed to mimic the arachidonyl group of the natural substrate. These changes have resulted in an improvement in the whole cell potency of the inhibitors. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.05.024