2,2-dibutyl-3-acetyl-5-(naphthalen-2-yl)-1,3,4-oxadiazoline | 1119700-33-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2,2-dibutyl-3-acetyl-5-(naphthalen-2-yl)-1,3,4-oxadiazoline
• CAS: 1119700-33-2
• 化学式: C₂₂H₂₈N₂O₂
• 分子量: 352.477
• InChiKey: OUNRNJUGHNUZHV-UHFFFAOYSA-N

物化性质

• 沸点：
  460.8±28.0 °C(predicted)
• 密度：
  1.09±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.46
• 重原子数：
  26.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  41.9
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  N'-(nonan-5-ylidene)-2-naphthohydrazide 、 乙酸酐 以81%的产率得到2,2-dibutyl-3-acetyl-5-(naphthalen-2-yl)-1,3,4-oxadiazoline
  参考文献：
  名称：

  1,3,4-Oxadiazoline derivatives as novel potential inhibitors targeting chitin biosynthesis: Design, synthesis and biological evaluation

  摘要：

  Two series of 1,3,4-oxadiazoline heterocycle derivatives were designed, synthesized and identified. Bioactivity assays showed that all synthesized compounds inhibited chitin synthesis in yeast, suggesting they might be a novel class of potential inhibitors against chitin biosynthesis. The structure-activity relationships (SAR) of these compounds are discussed. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.095