4-Hydroxy-2-(7-methoxy-heptyl)-3-(3-methyl-but-2-enyl)-cyclopent-2-enone | 54105-84-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-Hydroxy-2-(7-methoxy-heptyl)-3-(3-methyl-but-2-enyl)-cyclopent-2-enone
• CAS: 54105-84-9
• 化学式: C₁₈H₃₀O₃
• 分子量: 294.434
• InChiKey: MSBAJYQMBAMVEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.96
• 重原子数：
  21.0
• 可旋转键数：
  10.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  46.53
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-Hydroxy-2-(7-methoxy-heptyl)-3-(3-methyl-but-2-enyl)-cyclopent-2-enone 生成 (1S,3R,4R,5S)-4-(7-Methoxy-heptyl)-5-(3-methyl-butyl)-cyclopentane-1,3-diol
  参考文献：
  名称：

  Cyclopentanones. X A novel synthesis of (dl)-prostaglandin F1α

  摘要：

  AbstractA novel total synthesis of (dl)‐prostaglandin F1α methyl ester is described. The 2,3‐dialkyl‐1,4‐cyclopentanediol system is obtained by the reduction of an appropriate 2,3‐dialkyl‐4‐hydroxy‐2‐cyclopentenone. The facile conversion of the most abundant isomeric cyclopentanediol, with the all trans relation of the four substituents to a δ‐lactone enables the creation of the required prostaglandin configuration and the construction of the C‐12 side chain. Extensive spectroscopic data are included.

  DOI：

  10.1002/bscb.19740830714
• 作为产物：
  描述：

  4-(7-Methoxy-heptyl)-5-(3-methyl-but-2-enyl)-cyclopent-4-ene-1,3-dione 在 溶剂黄146 、 锌 作用下， 以 二氯甲烷 为溶剂， 生成 4-Hydroxy-2-(7-methoxy-heptyl)-3-(3-methyl-but-2-enyl)-cyclopent-2-enone
  参考文献：
  名称：

  Cyclopentanones. X A novel synthesis of (dl)-prostaglandin F1α

  摘要：

  AbstractA novel total synthesis of (dl)‐prostaglandin F1α methyl ester is described. The 2,3‐dialkyl‐1,4‐cyclopentanediol system is obtained by the reduction of an appropriate 2,3‐dialkyl‐4‐hydroxy‐2‐cyclopentenone. The facile conversion of the most abundant isomeric cyclopentanediol, with the all trans relation of the four substituents to a δ‐lactone enables the creation of the required prostaglandin configuration and the construction of the C‐12 side chain. Extensive spectroscopic data are included.

  DOI：

  10.1002/bscb.19740830714