3-Methyl-2-heptyl-cyclopentanon-(1) | 50398-03-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-Methyl-2-heptyl-cyclopentanon-(1)
• 英文别名: 2-heptyl-3-methyl-cyclopentanone；2-Heptyl-3-methyl-cyclopentanon；2-Heptyl-3-methylcyclopentan-1-one；2-heptyl-3-methylcyclopentan-1-one
• CAS: 50398-03-3
• 化学式: C₁₃H₂₄O
• 分子量: 196.333
• InChiKey: JCBYDLVEZFXPJB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-Methyl-2-heptyl-cyclopentanon-(1) 、 乙二醇 在 chlorinated KU-23 作用下， 以 甲苯 为溶剂， 反应 6.0h， 以76.1%的产率得到6-heptyl-7-methyl-1,4-dioxaspiro[4.4]nonane
  参考文献：
  名称：

  Synthesis of higher spiroacetals by condensation of alkyl- and cycloalkylcyclopentanones and cyclohexanones with dihydric alcohols in the presence of heterogenic catalysts

  摘要：

  The condensation of C-3-C-7 alkyl- and cycloalkylcyclopentanones and cyclohexanones with 1,2-ethane-, 1,2-propane-, and 1,3-butanediols in the presence of heterogenic acid catalysts provided new representatives of spiroacetals. The highest yields of reaction products were obtained in the presence of phosphomolybdic heteropolyacid additionally modified with cobalt and bromine, and also in the presence of the chlorinated cationite KU-23 at 110-130A degrees C. The synthesized spiroacetals possess the jasmine and menthol-wooden fragrance of various tinges.

  DOI：

  10.1134/s1070428011080069