Diethyl-4-oxa-6-heptin-1,1-dicarboxylat | 38858-63-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Diethyl-4-oxa-6-heptin-1,1-dicarboxylat
• 英文别名: Diethyl[2-(prop-2-yn-1-yloxy)ethyl]propanedioate；diethyl 2-(2-prop-2-ynoxyethyl)propanedioate
• CAS: 38858-63-8
• 化学式: C₁₂H₁₈O₅
• 分子量: 242.272
• InChiKey: AXNHHJGTSWDGKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  17
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Diethyl-4-oxa-6-heptin-1,1-dicarboxylat 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Base-induced cyclizations of diethyl 4-oxa-6-heptyne-1,1-dicarboxylate

  摘要：

  DOI：

  10.1021/jo00949a043
• 作为产物：
  描述：

  丙炔醇乙氧基化合物 在 四溴化碳 、 sodium hydride 、 三苯基膦 作用下， 以 四氢呋喃 、 二氯甲烷 、 mineral oil 为溶剂， 反应 24.5h， 生成 Diethyl-4-oxa-6-heptin-1,1-dicarboxylat
  参考文献：
  名称：

  [EN] REVERSIBLE MACROCYCLIC KINASE INHIBITORS
  [FR] INHIBITEURS DE KINASE RÉVERSIBLES MACROCYCLIQUES

  摘要：

  The present invention relates to macrocyclic compounds and compositions containing said compounds acting as kinase inhibitors. Moreover, the present invention provides processes for the preparation of the disclosed compounds, as well as methods of using them, for instance as a medicament, in particular for the treatment specific kinase mediated disorders, such as cancer.

  公开号：

  WO2023110936A1

文献信息

• Base-induced cyclizations of diethyl 4-oxa-6-heptyne-1,1-dicarboxylate
  作者：Albert T. Bottini、John G. Maroski、Vasu Dev

  DOI：10.1021/jo00949a043

  日期：1973.5
• [EN] REVERSIBLE MACROCYCLIC KINASE INHIBITORS<br/>[FR] INHIBITEURS DE KINASE RÉVERSIBLES MACROCYCLIQUES
  申请人：[en]NETHERLANDS TRANSLATIONAL RESEARCH CENTER HOLDING B.V

  公开号：WO2023110936A1

  公开（公告）日：2023-06-22

  The present invention relates to macrocyclic compounds and compositions containing said compounds acting as kinase inhibitors. Moreover, the present invention provides processes for the preparation of the disclosed compounds, as well as methods of using them, for instance as a medicament, in particular for the treatment specific kinase mediated disorders, such as cancer.