3-methyl-hept-5-yn-2-one | 26118-40-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-methyl-hept-5-yn-2-one
• 英文别名: 3-Methylhept-5-yn-2-one
• CAS: 26118-40-1
• 化学式: C₈H₁₂O
• 分子量: 124.183
• InChiKey: FYONDBRAVSLARD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-methyl-hept-5-yn-2-one 、 碘甲烷 在 sodium hydride 作用下， 以 六甲基磷酰三胺 为溶剂， 生成 4-methyl-oct-6-yn-3-one
  参考文献：
  名称：

  Gelin,R. et al., Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques, 1969, vol. 269, p. 1052 - 1055

  摘要：

  DOI：
• 作为产物：
  描述：

  5-庚炔-2-酮 、 碘甲烷 在 sodium hydride 作用下， 以 乙醚 为溶剂， 生成 3-methyl-hept-5-yn-2-one
  参考文献：
  名称：

  Gelin,R. et al., Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques, 1969, vol. 269, p. 1052 - 1055

  摘要：

  DOI：

文献信息

• Methods for producing beraprost and its derivatives
  申请人：Lung Biotechnology PBC

  公开号：US10005753B2

  公开（公告）日：2018-06-26

  The present invention is directed to methods for preparing Beraprost and novel synthetic intermediates for Beraprost. In one aspect, a process is provided to produce a pharmaceutical compound represented by the general Formula (I) via a radical cyclization route. The process is completed in fewer steps than the known synthetic methods and may be conducted to prepare commercially useful quantities. In another aspect, synthetic methods are provided for producing Beraprost and its derivatives, which are stereoselective, efficient, scalable and economical. In another aspect, substantially isomerically pure compounds and intermediates are produced by the above processes.

  本发明涉及贝前列素的制备方法和贝前列素的新型合成中间体。一方面，本发明提供了一种通过自由基环化途径生产通式（I）所代表的药物化合物的工艺。与已知的合成方法相比，该工艺只需较少的步骤即可完成，并可用于制备商业上有用的数量。另一方面，提供了生产贝前列素及其衍生物的合成方法，该方法具有立体选择性、高效性、可扩展性和经济性。在另一个方面，通过上述工艺可以生产出基本上同分异构的纯化合物和中间体。
• METHODS FOR PRODUCING BERAPROST AND ITS DERIVATIVES
  申请人：Lung Biotechnology PBC

  公开号：US20170166545A1

  公开（公告）日：2017-06-15

  The present invention is directed to methods for preparing Beraprost and novel synthetic intermediates for Beraprost. In one aspect, a process is provided to produce a pharmaceutical compound represented by the general Formula (I) via a radical cyclization route. The process is completed in fewer steps than the known synthetic methods and may be conducted to prepare commercially useful quantities. In another aspect, synthetic methods are provided for producing Beraprost and its derivatives, which are stereoselective, efficient, scalable and economical. In another aspect, substantially isomerically pure compounds and intermediates are produced by the above processes.
• Gelin,R. et al., Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques, 1969, vol. 269, p. 1052 - 1055
  作者：Gelin,R. et al.

  DOI：——

  日期：——