diethyl 6-(3-thiopheneethoxy)hexylmalonate | 271586-18-6

• 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 6-(3-thiopheneethoxy)hexylmalonate
• 英文别名: diethyl 2-[6-(2-thiophen-3-ylethoxy)hexyl]propanedioate
• CAS: 271586-18-6
• 化学式: C₁₉H₃₀O₅S
• 分子量: 370.51
• InChiKey: QHYXDPXQRIMHGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.0
• 重原子数：
  25.0
• 可旋转键数：
  14.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  61.83
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  diethyl 6-(3-thiopheneethoxy)hexylmalonate 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以74%的产率得到ethyl 6-(3-thiopheneethoxy)hexylmalonate
  参考文献：
  名称：

  Design and Syntheses of 2-Oxiranecarboxylate Derivatives and Their Hypoglycemic Activities

  摘要：

  A series of 2-oxiranecarboxylate derivatives were prepared as carnitine palmitoyl transferase I (CPT-I) inhibitors for the development of new antidiabetic agents. The syntheses and biological activities were reported. The most promising derivative (13b) showed 2.5 times more hypoglycemic activity and 2 times lower acute toxicity compared to Etomoxir ((3)).

  DOI：

  10.3987/com-98-8235
• 作为产物：
  描述：

  1,6-己二醇 在 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 33.5h， 生成 diethyl 6-(3-thiopheneethoxy)hexylmalonate
  参考文献：
  名称：

  Design and Syntheses of 2-Oxiranecarboxylate Derivatives and Their Hypoglycemic Activities

  摘要：

  A series of 2-oxiranecarboxylate derivatives were prepared as carnitine palmitoyl transferase I (CPT-I) inhibitors for the development of new antidiabetic agents. The syntheses and biological activities were reported. The most promising derivative (13b) showed 2.5 times more hypoglycemic activity and 2 times lower acute toxicity compared to Etomoxir ((3)).

  DOI：

  10.3987/com-98-8235