methyl [(1R)-1-(4-methylphenyl)prop-2-enyl] carbonate | 671211-61-3

• 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: methyl [(1R)-1-(4-methylphenyl)prop-2-enyl] carbonate
• CAS: 671211-61-3
• 化学式: C₁₂H₁₄O₃
• 分子量: 206.241
• InChiKey: RIMMVPBKQPIALH-LLVKDONJSA-N

物化性质

• 沸点：
  275.6±29.0 °C(Predicted)
• 密度：
  1.064±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• 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

• 作为产物：
  描述：

  1-(4'-甲基苯基)-丙-2-烯-1-醇 在 吡啶 、 [Rh(I)((S,S',R,R')-tangphos)(COD)]*BF₄ 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 40.0h， 生成 methyl [(1S)-1-(4-methylphenyl)prop-2-enyl] carbonate 、 methyl [(1R)-1-(4-methylphenyl)prop-2-enyl] carbonate 、 N-benzyl-1-(4-methylphenyl)prop-2-en-1-amine
  参考文献：
  名称：

  Substituent effects on the amination of racemic allyl carbonates using commercially available chiral rhodium catalysts

  摘要：

  In the presence of commercially available chiral rhodium catalysts, a competitive benzylamination of racemic allyl carbonates, substituted with p-X-Ph groups, shows that the reaction proceeds faster with substituents (X) that are more electron-withdrawing. Mechanistic implications of these results are discussed. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.08.032

文献信息

• Substituent effects on the amination of racemic allyl carbonates using commercially available chiral rhodium catalysts
  作者：Timothy Atallah、Ronald L. Blankespoor、Philip Homan、Chase Hulderman、Brian M. Samas、Kurt Van Allsburg、Derek C. Vrieze

  DOI：10.1016/j.tetlet.2013.08.032

  日期：2013.10

  In the presence of commercially available chiral rhodium catalysts, a competitive benzylamination of racemic allyl carbonates, substituted with p-X-Ph groups, shows that the reaction proceeds faster with substituents (X) that are more electron-withdrawing. Mechanistic implications of these results are discussed. (c) 2013 Elsevier Ltd. All rights reserved.