2-(4-methylhexyl)cyclohexanone | 679431-81-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(4-methylhexyl)cyclohexanone
• 英文别名: 2-(4-methylhexyl)cyclohexan-1-one
• CAS: 679431-81-3
• 化学式: C₁₃H₂₄O
• 分子量: 196.333
• InChiKey: JMTHARGEDXDLLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.96
• 重原子数：
  14.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  2-(4-methylhexyl)cyclohexanone 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 以87%的产率得到10-methyl-6-dodecanolide
  参考文献：
  名称：

  Novel Caprolactones from a Marine Streptomycete

  摘要：

  Two new caprolactones, (R)-10-methyl-6-undecanolide (1) and (6R,10S)-10-methyl-6-dodecanolide (2), were identified in the lipid extract of a marine streptomycete (isolate B6007). Their structures were proposed on the basis of GC-MS experiments and proved by synthesis. The absolute configuration of the compounds was established by comparison of the natural and synthetic stereoisomers using chiral gas chromatography. These caprolactones show a moderate phytotoxicity and a promising activity against cancer cells with concomitant low general cytotoxicity.

  DOI：

  10.1021/np030321z
• 作为产物：
  描述：

  4-甲基-1-己醇 在 potassium tert-butylate 、 溴 、 三苯基膦 作用下， 以 叔丁醇 为溶剂， 反应 2.5h， 生成 2-(4-methylhexyl)cyclohexanone
  参考文献：
  名称：

  Novel Caprolactones from a Marine Streptomycete

  摘要：

  Two new caprolactones, (R)-10-methyl-6-undecanolide (1) and (6R,10S)-10-methyl-6-dodecanolide (2), were identified in the lipid extract of a marine streptomycete (isolate B6007). Their structures were proposed on the basis of GC-MS experiments and proved by synthesis. The absolute configuration of the compounds was established by comparison of the natural and synthetic stereoisomers using chiral gas chromatography. These caprolactones show a moderate phytotoxicity and a promising activity against cancer cells with concomitant low general cytotoxicity.

  DOI：

  10.1021/np030321z

文献信息

• Novel Caprolactones from a Marine Streptomycete
  作者：Katja Stritzke、Stefan Schulz、Hartmut Laatsch、Elisabeth Helmke、Winfried Beil

  DOI：10.1021/np030321z

  日期：2004.3.1

  Two new caprolactones, (R)-10-methyl-6-undecanolide (1) and (6R,10S)-10-methyl-6-dodecanolide (2), were identified in the lipid extract of a marine streptomycete (isolate B6007). Their structures were proposed on the basis of GC-MS experiments and proved by synthesis. The absolute configuration of the compounds was established by comparison of the natural and synthetic stereoisomers using chiral gas chromatography. These caprolactones show a moderate phytotoxicity and a promising activity against cancer cells with concomitant low general cytotoxicity.