1-Cyclopentene-1-heptanoic acid, 2,4,4-triethoxy-5-oxo- | 42749-19-9

• 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: 1-Cyclopentene-1-heptanoic acid, 2,4,4-triethoxy-5-oxo-
• 英文别名: 3.5.5-Triethoxy-2-(6'-carboxyhexyl)-2-cyclopenten-1-on
• CAS: 42749-19-9
• 化学式: C₁₈H₃₀O₆
• 分子量: 342.433
• InChiKey: QOVMQQYRXOJLNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.44
• 重原子数：
  24.0
• 可旋转键数：
  13.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  82.06
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  1-Cyclopentene-1-heptanoic acid, 2,4,4-triethoxy-5-oxo- 、 magnesium,oct-1-yne,bromide 生成 4-Hydroxy-3-(6'-carboxyhexyl)-2-(1'-octynyl)-2-cyclopenten-1-on
  参考文献：
  名称：

  Cyclopentanones. XVII: Prostaglandin synthesis involving the lithium-liquid ammonia reduction of 3-alkyl-4-hydroxy-2-(1′-octynyl)-2-cyclopentenones

  摘要：

  AbstractThe present paper describes the lithium‐liquid ammonia reduction of 3‐alkyl‐4‐hydroxy‐2‐(1′‐octynyl)‐2‐cyclopentenones; depending on the nature of the 3‐alkyl side chain prostaglandins of the F1‐series or primary prostaglandins of the 2‐series are synthesised.

  DOI：

  10.1002/bscb.19760850706
• 作为产物：
  描述：

  7-(2,4,4-Triethoxy-5-oxo-cyclopent-1-enyl)-heptanoic acid ethyl ester 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 1-Cyclopentene-1-heptanoic acid, 2,4,4-triethoxy-5-oxo-
  参考文献：
  名称：

  Cyclopentanones. XVII: Prostaglandin synthesis involving the lithium-liquid ammonia reduction of 3-alkyl-4-hydroxy-2-(1′-octynyl)-2-cyclopentenones

  摘要：

  AbstractThe present paper describes the lithium‐liquid ammonia reduction of 3‐alkyl‐4‐hydroxy‐2‐(1′‐octynyl)‐2‐cyclopentenones; depending on the nature of the 3‐alkyl side chain prostaglandins of the F1‐series or primary prostaglandins of the 2‐series are synthesised.

  DOI：

  10.1002/bscb.19760850706

文献信息

• Cyclopentanones. XVII: Prostaglandin synthesis involving the lithium-liquid ammonia reduction of 3-alkyl-4-hydroxy-2-(1′-octynyl)-2-cyclopentenones
  作者：P. De Clercq、M. De Smet、K. Legein、F. Vanhulle、M. Vandewalle

  DOI：10.1002/bscb.19760850706

  日期：——

  AbstractThe present paper describes the lithium‐liquid ammonia reduction of 3‐alkyl‐4‐hydroxy‐2‐(1′‐octynyl)‐2‐cyclopentenones; depending on the nature of the 3‐alkyl side chain prostaglandins of the F1‐series or primary prostaglandins of the 2‐series are synthesised.