2-(2-[1,3]dioxolan-2-ylphenyl)propenal | 850811-39-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(2-[1,3]dioxolan-2-ylphenyl)propenal
• 英文别名: 2-[2-(1,3-Dioxolan-2-yl)phenyl]prop-2-enal
• CAS: 850811-39-1
• 化学式: C₁₂H₁₂O₃
• 分子量: 204.225
• InChiKey: MKLNRSZDBSERJY-UHFFFAOYSA-N

物化性质

• 沸点：
  362.7±42.0 °C(Predicted)
• 密度：
  1.146±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 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-[1,3]dioxolan-2-ylphenyl)propenal 在 对甲苯磺酸 作用下， 以 四氢呋喃 为溶剂， 反应 15.0h， 生成 trans-3,4-dihydro-1-methoxy-4-methylene-3-vinyl-1H-isochromene
  参考文献：
  名称：

  Synthesis of the 3-Methylene-2-vinyltetrahydropyran Unit; the Hallmark of the Sesquiterpene, Hodgsonox

  摘要：

  The synthesis of some simple compounds containing the previously unreported 3-methylene-2-vinyltetrahydropyran system, a unique feature of the liverwort metabolite, hodgsonox is reported. Key features are the creation of an acrolein substituted in the a-position with a three-carbon chain bearing a terminal electrophilic site, addition of a vinyl group, and cyclization.

  DOI：

  10.1021/jo047998r
• 作为产物：
  描述：

  2-溴苯甲醛乙烯醛 在 bis-triphenylphosphine-palladium(II) chloride copper(l) iodide 、 三正丁基氢锡 、 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 18.5h， 生成 2-(2-[1,3]dioxolan-2-ylphenyl)propenal
  参考文献：
  名称：

  Synthesis of the 3-Methylene-2-vinyltetrahydropyran Unit; the Hallmark of the Sesquiterpene, Hodgsonox

  摘要：

  The synthesis of some simple compounds containing the previously unreported 3-methylene-2-vinyltetrahydropyran system, a unique feature of the liverwort metabolite, hodgsonox is reported. Key features are the creation of an acrolein substituted in the a-position with a three-carbon chain bearing a terminal electrophilic site, addition of a vinyl group, and cyclization.

  DOI：

  10.1021/jo047998r

文献信息

• Synthesis of the 3-Methylene-2-vinyltetrahydropyran Unit; the Hallmark of the Sesquiterpene, Hodgsonox
  作者：Anna J. Barlow、Benjamin J. Compton、Rex T. Weavers

  DOI：10.1021/jo047998r

  日期：2005.4.1

  The synthesis of some simple compounds containing the previously unreported 3-methylene-2-vinyltetrahydropyran system, a unique feature of the liverwort metabolite, hodgsonox is reported. Key features are the creation of an acrolein substituted in the a-position with a three-carbon chain bearing a terminal electrophilic site, addition of a vinyl group, and cyclization.