2,2-dimethyl-6-(3-methylpent-1-enyl)-[1,3]dioxin-4-one | 681488-45-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2-dimethyl-6-(3-methylpent-1-enyl)-[1,3]dioxin-4-one
• 英文别名: 2,2-dimethyl-6-[(E)-3-methylpent-1-enyl]-1,3-dioxin-4-one
• CAS: 681488-45-9
• 化学式: C₁₂H₁₈O₃
• 分子量: 210.273
• InChiKey: MVCSKXXFLNOWRG-VOTSOKGWSA-N

物化性质

• 沸点：
  316.8±31.0 °C(Predicted)
• 密度：
  1.048±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,2-dimethyl-6-(3-methylpent-1-enyl)-[1,3]dioxin-4-one 反应 0.24h， 生成 6-sec-butyl-1-(2-hydroxyethyl)-4-oxo-1,4,5,6-tetrahydropyridine-3-carboxylic acid benzyl ester
  参考文献：
  名称：

  Multistep Microwave-Assisted Solvent-Free Organic Reactions: Synthesis of 4-Oxo-tetrahydro-pyridine

  摘要：

  Preparation and ring-closure of 2-dimethylaminomethylene-5-substituted-3-oxo-pent-4-enoic acid benzyl esters to dihydropyridine rings are efficiently and quickly carried out under solvent-free conditions in an open-vessel microwave system. The syntheses of 1,6-disubstituted-4-oxo-1,4,5,6-tetrahydro-pyridine-3-carboxylic acid benzyl esters are reported.

  DOI：

  10.1081/scc-120027272
• 作为产物：
  描述：

  2-甲基丁醛 、 diethyl ((2,2-dimethyl-4-oxo-4H-1,3-dioxin-6-yl)methyl)phosphonate 在 LiHMDSA 作用下， 以 四氢呋喃 为溶剂， 反应 10.75h， 生成 2,2-dimethyl-6-(3-methylpent-1-enyl)-[1,3]dioxin-4-one
  参考文献：
  名称：

  Multistep Microwave-Assisted Solvent-Free Organic Reactions: Synthesis of 4-Oxo-tetrahydro-pyridine

  摘要：

  Preparation and ring-closure of 2-dimethylaminomethylene-5-substituted-3-oxo-pent-4-enoic acid benzyl esters to dihydropyridine rings are efficiently and quickly carried out under solvent-free conditions in an open-vessel microwave system. The syntheses of 1,6-disubstituted-4-oxo-1,4,5,6-tetrahydro-pyridine-3-carboxylic acid benzyl esters are reported.

  DOI：

  10.1081/scc-120027272