| 1386262-05-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1386262-05-0
• 化学式: C₂₃H₂₂ClNO₅S
• 分子量: 459.95
• InChiKey: LXRZAQSQAPLUKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.33
• 重原子数：
  31.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  65.07
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成 5-[(2-chlorophenyl)-hydroxymethyl]-N-ethyl-N-(3,4,5-trimethoxyphenyl)thiophene-2-carboxamide
  参考文献：
  名称：

  Cu(II)-Promoted Transformations of α-Thienylcarbinols into Spirothienooxindoles: Regioselective Halogenation of Dienyl Sulfethers Containing Electron-Rich Aryl Rings

  摘要：

  Under the promotion of Cu(II) salts, the alpha-thienylcarbinols with an N-phenyl carbonyl group at the other alpha-position are converted into three different ranges of spirothienooxindoles involving dearomatizing Friedel-Crafts reaction. In addition, the unprecedented regioselective CuX2-mediated C-H functionalization/halogenation of dienyl sulfether containing electron-rich aryl rings is presented.

  DOI：

  10.1021/jo301039y
• 作为产物：
  描述：

  在 磺酰氯 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Cu(II)-Promoted Transformations of α-Thienylcarbinols into Spirothienooxindoles: Regioselective Halogenation of Dienyl Sulfethers Containing Electron-Rich Aryl Rings

  摘要：

  Under the promotion of Cu(II) salts, the alpha-thienylcarbinols with an N-phenyl carbonyl group at the other alpha-position are converted into three different ranges of spirothienooxindoles involving dearomatizing Friedel-Crafts reaction. In addition, the unprecedented regioselective CuX2-mediated C-H functionalization/halogenation of dienyl sulfether containing electron-rich aryl rings is presented.

  DOI：

  10.1021/jo301039y