3-methoxy-17-p-toluenesulfonyloxy-16,17-secoestra-1,3,5(10)-triene-16-nitrile | 129336-87-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 3-methoxy-17-p-toluenesulfonyloxy-16,17-secoestra-1,3,5(10)-triene-16-nitrile
• CAS: 129336-87-4
• 化学式: C₂₆H₃₁NO₄S
• 分子量: 453.602
• InChiKey: BISPYDLDZLDMMC-FXSWLTOZSA-N

反应信息

• 作为反应物：
  描述：

  3-methoxy-17-p-toluenesulfonyloxy-16,17-secoestra-1,3,5(10)-triene-16-nitrile 在 氢溴酸 作用下， 以 溶剂黄146 为溶剂， 生成 3-hydroxy-18-methyl-17-oxaestra-1,3,5(10)-trien-16-one
  参考文献：
  名称：

  D-Secoestrone Derivatives. IV. 3-Hydroxy-18-methyl-17-oxaestra-1,3,5(10)-trien-16-one

  摘要：

  X-ray structure analysis of the title compound, C18H22O3, Obtained under demethylation reaction conditions from 3-methoxy-17-p-toluenesulfonyloxy-16,17-secoestra-1,3,5(10)-triene-16-carbonitrile, revealed an unusual C/D ring junction. The molecules are connected in a head-to-tail manner by bifurcated hydrogen bonds, forming twisted chains along the a axis.

  DOI：

  10.1107/s0108270197019161
• 作为产物：
  描述：

  3-methoxy-17-hydroxy-16,17-secoestra-1,3,5(10)-triene-16-nitrile 、 对甲苯磺酰氯 在 吡啶 作用下， 反应 50.0h， 以70%的产率得到3-methoxy-17-p-toluenesulfonyloxy-16,17-secoestra-1,3,5(10)-triene-16-nitrile
  参考文献：
  名称：

  Synthesis and estrogen activity screening of some new D-secoestrone derivatives

  摘要：

  Five new D-secoestrone derivatives were synthesized, starting from 3-methoxy-17-hydroxy-16,17-secoestra-1,3,5(10)-triene-16-nitrile. Newly synthesized compounds showed a complete loss of estrogenic activity.

  DOI：

  10.1016/0039-128x(90)90045-d