methyl 2,2-dimethyl-5-[(9Z)-octadec-9-enoyl]-4,6-dioxocyclohexane-1-carboxylate | 1146532-92-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl 2,2-dimethyl-5-[(9Z)-octadec-9-enoyl]-4,6-dioxocyclohexane-1-carboxylate
• 英文别名: methyl 2,2-dimethyl-5-[(Z)-octadec-9-enoyl]-4,6-dioxocyclohexane-1-carboxylate
• CAS: 1146532-92-4
• 化学式: C₂₈H₄₆O₅
• 分子量: 462.67
• InChiKey: GZLCRIHDXRXBFT-SEYXRHQNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  33
• 可旋转键数：
  18
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  77.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  methyl 6,6-dimethyl-2-[(9Z)-octadec-9-enoyloxy]-4-oxocyclohex-2-ene-1-carboxylate 在 4-二甲氨基吡啶 作用下， 以 苯 为溶剂， 反应 6.0h， 以75%的产率得到methyl 2,2-dimethyl-5-[(9Z)-octadec-9-enoyl]-4,6-dioxocyclohexane-1-carboxylate
  参考文献：
  名称：

  Synthesis of kairomones and their analogs from 2-acylcyclohexane-1,3-diones with an unsaturated acyl side chain

  摘要：

  Natural 2-[(9Z)-1-oxooctadec-9-en-1-yl]-, 2-[(9Z,12Z)-1-oxooctadeca-9,12-dien-1-yl]-, and 2-[(9Z,12Z,15Z)-1-oxooctadeca-9,12,15-trien-1-yl]cyclohexane-1,3-diones (components of flour moth Ephestia kuehniella kairomones) and some their analogs were synthesized from cyclohexane-1,3-diones and long-chain unsaturated carboxylic acid chlorides.

  DOI：

  10.1134/s1070428008100084

文献信息

• Synthesis of kairomones and their analogs from 2-acylcyclohexane-1,3-diones with an unsaturated acyl side chain
  作者：F. A. Lakhvich、I. I. Petrusevich、N. G. Ogeiko、A. N. Sergeeva

  DOI：10.1134/s1070428008100084

  日期：2008.10

  Natural 2-[(9Z)-1-oxooctadec-9-en-1-yl]-, 2-[(9Z,12Z)-1-oxooctadeca-9,12-dien-1-yl]-, and 2-[(9Z,12Z,15Z)-1-oxooctadeca-9,12,15-trien-1-yl]cyclohexane-1,3-diones (components of flour moth Ephestia kuehniella kairomones) and some their analogs were synthesized from cyclohexane-1,3-diones and long-chain unsaturated carboxylic acid chlorides.