2-(4-tert-butylphenyl)-5-(2-(4-methoxyphenyl)-4H-chromen-4-ylthio)-1,3,4-oxadiazole | 1423579-50-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 2-(4-tert-butylphenyl)-5-(2-(4-methoxyphenyl)-4H-chromen-4-ylthio)-1,3,4-oxadiazole
• 英文别名: 2-(4-tert-butylphenyl)-5-[[2-(4-methoxyphenyl)-4H-chromen-4-yl]sulfanyl]-1,3,4-oxadiazole
• CAS: 1423579-50-3
• 化学式: C₂₈H₂₆N₂O₃S
• 分子量: 470.592
• InChiKey: HWSPVGHBJWEIQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  82.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  trans-2-hydroxy-4'-methoxychalcone 、 5-(4-正丁基苯基)-1,3,4-恶二唑-2-硫醇 以 甲苯 为溶剂， 反应 6.0h， 以78%的产率得到2-(4-tert-butylphenyl)-5-(2-(4-methoxyphenyl)-4H-chromen-4-ylthio)-1,3,4-oxadiazole
  参考文献：
  名称：

  Catalyst-free C–S/C–O bond formation: synthesis of novel 4-thio-substituted 2-aryl-4H-chromenes from easily available 2-hydroxychalcones

  摘要：

  An efficient catalyst-free synthesis of novel functionalized 4-thio-substituted 2-aryl-4H-chromenes from easily available 2-hydroxychalcone derivatives is described. This domino reaction enables successful assembly of two new C-S and C-O sigma bonds in a one-pot operation. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.01.047

文献信息

• Catalyst-free C–S/C–O bond formation: synthesis of novel 4-thio-substituted 2-aryl-4H-chromenes from easily available 2-hydroxychalcones
  作者：Guo-Dong Yin、Ting-Ting Lai、Zhi-Si Yan、Han Chen、Jing Zheng、Qing Tao

  DOI：10.1016/j.tet.2013.01.047

  日期：2013.3

  An efficient catalyst-free synthesis of novel functionalized 4-thio-substituted 2-aryl-4H-chromenes from easily available 2-hydroxychalcone derivatives is described. This domino reaction enables successful assembly of two new C-S and C-O sigma bonds in a one-pot operation. (c) 2013 Elsevier Ltd. All rights reserved.