| 1386262-15-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1386262-15-2
• 化学式: C₂₇H₂₇NO₅S
• 分子量: 477.581
• InChiKey: ZYARBOVOOCGWCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.68
• 重原子数：
  34.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  68.23
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  在 copper(ll) sulfate pentahydrate 、 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 12.0h， 以62%的产率得到(Z)-1-ethyl-4,5,6-trimethoxy-5'-(naphthalen-1-ylmethylene)-5'Hspiro[indoline-3,2'-thiophen]-2-one
  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 sodium tetrahydroborate 作用下， 以 甲醇 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