3-[3-(2-Hydroxy-ethyl)-2,4-dimethyl-phenyl]-2,2-dimethyl-propionic acid methyl ester | 820965-02-4

• 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: 3-[3-(2-Hydroxy-ethyl)-2,4-dimethyl-phenyl]-2,2-dimethyl-propionic acid methyl ester
• 英文别名: Methyl 3-[3-(2-hydroxyethyl)-2,4-dimethylphenyl]-2,2-dimethylpropanoate
• CAS: 820965-02-4
• 化学式: C₁₆H₂₄O₃
• 分子量: 264.365
• InChiKey: NOKLNXPIFWHNMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-[3-(2-Hydroxy-ethyl)-2,4-dimethyl-phenyl]-2,2-dimethyl-propionic acid methyl ester 在 吡啶 、 lithium hydroxide 、 三氯化铝 、 氯化亚砜 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 29.0h， 生成 acetylisopterosin Z
  参考文献：
  名称：

  Stannylative Cycloaddition of Enynes Catalyzed by Palladium−Iminophosphine

  摘要：

  Palladium-iminophosphine complex catalyzes stannylative cycloaddition of conjugated enynes using hexabutyldistannoxane as a stannylating agent to afford highly substituted 3-alkenylphenylstannanes regioselectively. Stannylative cross-cycloaddition reactions between different enynes or between enynes and diynes are also achieved. The reaction is successfully applied to a concise synthesis of alcyopterosin N, which has been isolated recently from sub-Antarctic soft coral, Alcyonium paessleri.

  DOI：

  10.1021/ja044429s
• 作为产物：
  描述：

  2-(2,4-Dimethyl-3-vinyl-benzyl)-acrylic acid methyl ester 在 六甲基磷酰三胺 copper(l) iodide 、 2,3-二甲基-2-丁基硼烷 、 甲基锂 、 二异丁基氢化铝 作用下， 以 四氢呋喃 、 乙醚 、 正己烷 为溶剂， 反应 32.0h， 生成 3-[3-(2-Hydroxy-ethyl)-2,4-dimethyl-phenyl]-2,2-dimethyl-propionic acid methyl ester
  参考文献：
  名称：

  Stannylative Cycloaddition of Enynes Catalyzed by Palladium−Iminophosphine

  摘要：

  Palladium-iminophosphine complex catalyzes stannylative cycloaddition of conjugated enynes using hexabutyldistannoxane as a stannylating agent to afford highly substituted 3-alkenylphenylstannanes regioselectively. Stannylative cross-cycloaddition reactions between different enynes or between enynes and diynes are also achieved. The reaction is successfully applied to a concise synthesis of alcyopterosin N, which has been isolated recently from sub-Antarctic soft coral, Alcyonium paessleri.

  DOI：

  10.1021/ja044429s