1-Acetoxy-1-methoxycarbonyl-3-methyl-3-cyclohexene | 144878-38-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-Acetoxy-1-methoxycarbonyl-3-methyl-3-cyclohexene
• 英文别名: Methyl 1-acetyloxy-3-methylcyclohex-3-ene-1-carboxylate；methyl 1-acetyloxy-3-methylcyclohex-3-ene-1-carboxylate
• CAS: 144878-38-6
• 化学式: C₁₁H₁₆O₄
• 分子量: 212.246
• InChiKey: UDFKSDHWHANLKJ-UHFFFAOYSA-N

物化性质

• 沸点：
  258.5±40.0 °C(Predicted)
• 密度：
  1.10±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  methyl 2-acetoxyacrylate 、 天然橡胶 在 对苯二酚 作用下， 反应 16.0h， 生成 1-Acetoxy-1-methoxycarbonyl-3-methyl-3-cyclohexene 、 1-Acetoxy-1-methoxycarbonyl-4-methyl-3-cyclohexene
  参考文献：
  名称：

  Unsaturated acid derivatives in diels-alder cycloadditions: effect of the extended or cross conjugation.

  摘要：

  Behaviour of pentadienoic acid derivatives in Diels-Alder cycloadditions has been examined in the light of experimental results and theoretical calculations. The effect of cross conjugation to an electron-releasing group has also been investigated for these systems and for simple acrylic acid derivatives.

  DOI：

  10.1016/s0040-4020(01)81998-0

文献信息

• Unsaturated acid derivatives in diels-alder cycloadditions: effect of the extended or cross conjugation.
  作者：Vicenç Branchadell、Antonio Oliva、R.M. Ortuño、Sara Rafel、Montserrat Ventura

  DOI：10.1016/s0040-4020(01)81998-0

  日期：1992.1

  Behaviour of pentadienoic acid derivatives in Diels-Alder cycloadditions has been examined in the light of experimental results and theoretical calculations. The effect of cross conjugation to an electron-releasing group has also been investigated for these systems and for simple acrylic acid derivatives.