2-benzhydryl-1-phenyl-3-(thiophen-2-yl)propane-1,3-dione | 1245941-29-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 2-benzhydryl-1-phenyl-3-(thiophen-2-yl)propane-1,3-dione
• 英文别名: 2-Benzhydryl-1-phenyl-3-thiophen-2-ylpropane-1,3-dione
• CAS: 1245941-29-0
• 化学式: C₂₆H₂₀O₂S
• 分子量: 396.51
• InChiKey: VMHGQJWRYPKVJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  62.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-苯基-3-(噻吩-2-基)丙烷-1,3-二酮 、 二苯基甲烷 在 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 硝基甲烷 为溶剂， 反应 8.0h， 以80%的产率得到2-benzhydryl-1-phenyl-3-(thiophen-2-yl)propane-1,3-dione
  参考文献：
  名称：

  Metal-free oxidative C–C bond formation of active methylenic sp3 C–H bonds with benzylic sp3 C–H and allylic sp3 C–H bonds mediated by DDQ

  摘要：

  An efficient and simple method for the oxidative coupling of benzylic and allylic sp(3) C-H bonds with active methylenic sp(3) C-H bonds under metal-free conditions was developed by employing 2,3-dichloro-5,6-dicyanobenzoquinone (DDQ) as an oxidant. The reaction was shown to proceed smoothly for various 1,3-dicarbonyl compounds with a range of benzylic and allylic substrates in good to excellent yields. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.07.080

文献信息

• Metal-free oxidative C–C bond formation of active methylenic sp3 C–H bonds with benzylic sp3 C–H and allylic sp3 C–H bonds mediated by DDQ
  作者：D. Ramesh、U. Ramulu、S. Rajaram、P. Prabhakar、Y. Venkateswarlu

  DOI：10.1016/j.tetlet.2010.07.080

  日期：2010.9

  An efficient and simple method for the oxidative coupling of benzylic and allylic sp(3) C-H bonds with active methylenic sp(3) C-H bonds under metal-free conditions was developed by employing 2,3-dichloro-5,6-dicyanobenzoquinone (DDQ) as an oxidant. The reaction was shown to proceed smoothly for various 1,3-dicarbonyl compounds with a range of benzylic and allylic substrates in good to excellent yields. (C) 2010 Elsevier Ltd. All rights reserved.