(2R,3S,4R)-4-(tert-Butyl-dimethyl-silanyloxy)-3-[(S)-3-(tert-butyl-dimethyl-silanyloxy)-oct-1-ynyl]-2-[(Z)-7-(1-ethoxy-ethoxy)-hept-2-enyl]-cyclopentanone | 211501-81-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (2R,3S,4R)-4-(tert-Butyl-dimethyl-silanyloxy)-3-[(S)-3-(tert-butyl-dimethyl-silanyloxy)-oct-1-ynyl]-2-[(Z)-7-(1-ethoxy-ethoxy)-hept-2-enyl]-cyclopentanone
• CAS: 211501-81-4
• 化学式: C₃₆H₆₈O₅Si₂
• 分子量: 637.104
• InChiKey: GMONZFRRFNRASK-WNYWZINGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.07
• 重原子数：
  43.0
• 可旋转键数：
  18.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  53.99
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (2R,3S,4R)-4-(tert-Butyl-dimethyl-silanyloxy)-3-[(S)-3-(tert-butyl-dimethyl-silanyloxy)-oct-1-ynyl]-2-[(Z)-7-(1-ethoxy-ethoxy)-hept-2-enyl]-cyclopentanone 在 jones' reagent 、 4-甲基苯磺酸吡啶 、 氟化氢吡啶 、 异丙醇 作用下， 以 乙醚 、 乙腈 为溶剂， 生成 13,14-Dehydro-PGE(2)
  参考文献：
  名称：

  Synthesis and pharmacological activities of 13-Dehydro derivatives of primary prostaglandins

  摘要：

  13-Dehydro derivatives of prostaglandin E-1, E-2, E-3, F-1 alpha, and F-2 alpha were synthesized. Compared with natural prostaglandins, 13-dehydro analogues were found to exhibit more potent inhibitory activity against human platelet aggregation and relaxation of guinea-pig isolated trachea, while they showed less potent activity of contraction of guinea-pig isolated ileum. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00247-9
• 作为产物：
  描述：

  (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-ynyl]-2-methylidenecyclopentan-1-one 、 (Z)-6-(1-Ethoxy-ethoxy)-1-iodo-hex-1-ene 在 叔丁基锂 、 lithium,azanidylidenemethylidenecopper,2H-thiophen-2-ide 作用下， 生成 (2R,3S,4R)-4-(tert-Butyl-dimethyl-silanyloxy)-3-[(S)-3-(tert-butyl-dimethyl-silanyloxy)-oct-1-ynyl]-2-[(Z)-7-(1-ethoxy-ethoxy)-hept-2-enyl]-cyclopentanone
  参考文献：
  名称：

  Synthesis and pharmacological activities of 13-Dehydro derivatives of primary prostaglandins

  摘要：

  13-Dehydro derivatives of prostaglandin E-1, E-2, E-3, F-1 alpha, and F-2 alpha were synthesized. Compared with natural prostaglandins, 13-dehydro analogues were found to exhibit more potent inhibitory activity against human platelet aggregation and relaxation of guinea-pig isolated trachea, while they showed less potent activity of contraction of guinea-pig isolated ileum. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00247-9