3-(4-ethylphenyl)-1-(2-methoxyphenyl)-9H-thioxanthen-9-one | 1353684-00-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫色烯
• 英文名称: 3-(4-ethylphenyl)-1-(2-methoxyphenyl)-9H-thioxanthen-9-one
• 英文别名: 3-(4-Ethylphenyl)-1-(2-methoxyphenyl)thioxanthen-9-one；3-(4-ethylphenyl)-1-(2-methoxyphenyl)thioxanthen-9-one
• CAS: 1353684-00-0
• 化学式: C₂₈H₂₂O₂S
• 分子量: 422.547
• InChiKey: HTODAUPVOBBKKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  9-oxo-9H-thioxanthene-1,3-diyl bis(trifluoromethanesulfonate) 在 potassium phosphate 、 四(三苯基膦)钯 作用下， 以 1,4-二氧六环 为溶剂， 反应 14.0h， 生成 3-(4-ethylphenyl)-1-(2-methoxyphenyl)-9H-thioxanthen-9-one
  参考文献：
  名称：

  Suzuki–Miyaura reactions of the bis(triflates) of 1,3- and 1,4-dihydroxythioxanthone. Electronic and steric effects on the site-selectivity

  摘要：

  The palladium(0)-catalyzed Suzuki cross-coupling reactions of the bis(triflates) of 1,3- and 1,4dihydroxythioxanthone afforded various aryl-substituted thioxanthones. While the Suzuki reactions of the bis(triflate) derived from 1,3-dihydroxythioxanthone proceeded by site-selective attack in favor of position 3, the reactions of the bis(triflate) of 1,4-dihydroxythioxanthone proceeded in favor of position 1. The site-selectivity is controlled by steric and electronic parameters. (C) 2011 Elsevier Ltd. All rights

  DOI：

  10.1016/j.tet.2011.10.095

文献信息

• Suzuki–Miyaura reactions of the bis(triflates) of 1,3- and 1,4-dihydroxythioxanthone. Electronic and steric effects on the site-selectivity
  作者：Dhafer Saber Zinad、Holger Feist、Alexander Villinger、Peter Langer

  DOI：10.1016/j.tet.2011.10.095

  日期：2012.1

  The palladium(0)-catalyzed Suzuki cross-coupling reactions of the bis(triflates) of 1,3- and 1,4dihydroxythioxanthone afforded various aryl-substituted thioxanthones. While the Suzuki reactions of the bis(triflate) derived from 1,3-dihydroxythioxanthone proceeded by site-selective attack in favor of position 3, the reactions of the bis(triflate) of 1,4-dihydroxythioxanthone proceeded in favor of position 1. The site-selectivity is controlled by steric and electronic parameters. (C) 2011 Elsevier Ltd. All rights