3,6-dimethyl-4-oxo-decanoic acid ethyl ester | 250613-71-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 3,6-dimethyl-4-oxo-decanoic acid ethyl ester
• 英文别名: Ethyl 3,6-dimethyl-4-oxodecanoate
• CAS: 250613-71-9
• 化学式: C₁₄H₂₆O₃
• 分子量: 242.359
• InChiKey: RQCKEIGCBQJJMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,6-dimethyl-4-oxo-decanoic acid ethyl ester 在 溶剂黄146 、 copper dichloride 、 肼 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 16.0h， 生成 5-methyl-6-(2-methyl-hexyl)-2H-pyridazin-3-one
  参考文献：
  名称：

  Silver(I)-Catalyzed Addition of Zirconocenes to Epoxy Esters:  A New Entry to 1,4-Dicarbonyl Compounds and Pyridazinones

  摘要：

  [GRAPHICS]The Ag(I)-catalyzed tandem epoxy ester rearrangement-dioxycarbenium ion addition reaction with alkenyl zirconocenes provides 1,4-keto esters that can be further converted to substituted pyridazinones. The use of a fluorous tag in a cyclization-assisted cleavage strategy demonstrates the feasibility of extending this methodology to high-throughput organic synthesis.

  DOI：

  10.1021/ol990924v
• 作为产物：
  描述：

  (2S,4S),(2R,4R)-2-<2-(Ethoxycarbonyl)ethenyl>-2-<1-(E)-hexenyl>-4-(hydroxymethyl)-4-methyl-1,3-dioxolane 在 copper(I) bromide dimethylsulfide complex 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 6.0h， 生成 3,6-dimethyl-4-oxo-decanoic acid ethyl ester
  参考文献：
  名称：

  Silver(I)-Catalyzed Addition of Zirconocenes to Epoxy Esters:  A New Entry to 1,4-Dicarbonyl Compounds and Pyridazinones

  摘要：

  [GRAPHICS]The Ag(I)-catalyzed tandem epoxy ester rearrangement-dioxycarbenium ion addition reaction with alkenyl zirconocenes provides 1,4-keto esters that can be further converted to substituted pyridazinones. The use of a fluorous tag in a cyclization-assisted cleavage strategy demonstrates the feasibility of extending this methodology to high-throughput organic synthesis.

  DOI：

  10.1021/ol990924v

文献信息

• Silver(I)-Catalyzed Addition of Zirconocenes to Epoxy Esters:  A New Entry to 1,4-Dicarbonyl Compounds and Pyridazinones
  作者：Peter Wipf、Joey-Lee Methot

  DOI：10.1021/ol990924v

  日期：1999.10.1

  [GRAPHICS]The Ag(I)-catalyzed tandem epoxy ester rearrangement-dioxycarbenium ion addition reaction with alkenyl zirconocenes provides 1,4-keto esters that can be further converted to substituted pyridazinones. The use of a fluorous tag in a cyclization-assisted cleavage strategy demonstrates the feasibility of extending this methodology to high-throughput organic synthesis.