1-(tert-butylamino)-4-methyl-1-oxopentan-2-yl 2,3-dimethoxybenzoate | 1072099-22-9

• 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: 1-(tert-butylamino)-4-methyl-1-oxopentan-2-yl 2,3-dimethoxybenzoate
• 英文别名: [1-(Tert-butylamino)-4-methyl-1-oxopentan-2-yl] 2,3-dimethoxybenzoate
• CAS: 1072099-22-9
• 化学式: C₁₉H₂₉NO₅
• 分子量: 351.443
• InChiKey: CUGZZTSECJWNLL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  25
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  73.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  异氰酸叔丁酯 、 2,3-二甲氧基苯甲酸 、 异戊醛 以 水 为溶剂， 反应 1.0h， 以55%的产率得到1-(tert-butylamino)-4-methyl-1-oxopentan-2-yl 2,3-dimethoxybenzoate
  参考文献：
  名称：

  Hydrophobicity and Mixing Effects on Select Heterogeneous, Water-Accelerated Synthetic Reactions

  摘要：

  The influence of aqueous reaction media on organic reactions is a topic of long-standing interest, particularly as it affects the rate or selectivity of synthetic reactions. Sometimes such reactions appear homogeneous, typically in dilute solution, whereas others are obviously heterogeneous, typically in concentrated Solution that is more characteristic of a preparative synthetic reaction. The latter situation has been termed "on water." Here, it is demonstrated that the rates of heterogeneous ene reactions, Passerini reactions, and Ugi reactions in pure water and in aqueous solutions are dependent on the mixing method and reactant polarity, consistent with the involvement of hydrophobic interactions in their acceleration.

  DOI：

  10.1021/jo801134r

文献信息

• Hydrophobicity and Mixing Effects on Select Heterogeneous, Water-Accelerated Synthetic Reactions
  作者：Michael C. Pirrung、Koushik Das Sarma、Jianmei Wang

  DOI：10.1021/jo801134r

  日期：2008.11.21

  The influence of aqueous reaction media on organic reactions is a topic of long-standing interest, particularly as it affects the rate or selectivity of synthetic reactions. Sometimes such reactions appear homogeneous, typically in dilute solution, whereas others are obviously heterogeneous, typically in concentrated Solution that is more characteristic of a preparative synthetic reaction. The latter situation has been termed "on water." Here, it is demonstrated that the rates of heterogeneous ene reactions, Passerini reactions, and Ugi reactions in pure water and in aqueous solutions are dependent on the mixing method and reactant polarity, consistent with the involvement of hydrophobic interactions in their acceleration.