6-chloro-4-(dodecylthio)-2-phenyl-4H-chromene | 1423579-70-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 6-chloro-4-(dodecylthio)-2-phenyl-4H-chromene
• 英文别名: 6-chloro-4-dodecylsulfanyl-2-phenyl-4H-chromene
• CAS: 1423579-70-7
• 化学式: C₂₇H₃₅ClOS
• 分子量: 443.093
• InChiKey: BFYZSBQQUYLMOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.4
• 重原子数：
  30
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  34.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (E)-3-(5-chloro-2-hydroxyphenyl)-1-phenylprop-2-en-1-one 、 十二硫醇 以 甲苯 为溶剂， 反应 10.0h， 以78%的产率得到6-chloro-4-(dodecylthio)-2-phenyl-4H-chromene
  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.