4-Hydroxy-3-(6'-carboxyhexyl)-2-(1'-octynyl)-2-cyclopenten-1-on | 42607-46-5

• 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: 4-Hydroxy-3-(6'-carboxyhexyl)-2-(1'-octynyl)-2-cyclopenten-1-on
• 英文别名: 7-(5-Hydroxy-2-oct-1-ynyl-3-oxocyclopenten-1-yl)heptanoic acid
• CAS: 42607-46-5
• 化学式: C₂₀H₃₀O₄
• 分子量: 334.456
• InChiKey: SPOOEHZDUKAIMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  24
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-Hydroxy-3-(6'-carboxyhexyl)-2-(1'-octynyl)-2-cyclopenten-1-on 在 palladium on activated charcoal 氢气 作用下， 生成 7-((1S,2R,3R,5S)-3,5-Dihydroxy-2-octyl-cyclopentyl)-heptanoic acid methyl ester
  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：

  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

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.