2-(butylcarbamoyl)-2-methylbutyl 2,2,2-trifluoroacetate | 1522363-58-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-(butylcarbamoyl)-2-methylbutyl 2,2,2-trifluoroacetate
• 英文别名: [2-(Butylcarbamoyl)-2-methylbutyl] 2,2,2-trifluoroacetate；[2-(butylcarbamoyl)-2-methylbutyl] 2,2,2-trifluoroacetate
• CAS: 1522363-58-1
• 化学式: C₁₂H₂₀F₃NO₃
• 分子量: 283.291
• InChiKey: IAWRGNPDWGPELV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  19
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(butylcarbamoyl)-2-methylbutyl 2,2,2-trifluoroacetate 在 甲醇 、 potassium carbonate 作用下， 以100%的产率得到N-butyl-2-(hydroxymethyl)-2-methylbutanamide
  参考文献：
  名称：

  Palladium-Catalyzed β-Acyloxylation of Simple Amide via sp³ C–H Activation

  摘要：

  beta-Acylcoxy amides are prepared in moderate to high yields by palladium-catalyzed acyloxylation of primary sp(3) C-H bonds from simple amides without any special directing group. A catalytic system of Pd(OAc)(2)/CF3CO2H/K2S2O8 is available to various amides with N-substituted by linear alkanes, cyclic alkanes, and electron-deficient benzyl compounds in this reaction. Acyloxylated products could be transformed easily to the corresponding beta-hydroxy amides.

  DOI：

  10.1021/ol403393w
• 作为产物：
  描述：

  2,2-二甲基丁酰氯 在 dipotassium peroxodisulfate 、 palladium diacetate 、 三乙胺 作用下， 以 乙酸乙酯 为溶剂， 反应 20.0h， 生成 2-(butylcarbamoyl)-2-methylbutyl 2,2,2-trifluoroacetate
  参考文献：
  名称：

  Palladium-Catalyzed β-Acyloxylation of Simple Amide via sp³ C–H Activation

  摘要：

  beta-Acylcoxy amides are prepared in moderate to high yields by palladium-catalyzed acyloxylation of primary sp(3) C-H bonds from simple amides without any special directing group. A catalytic system of Pd(OAc)(2)/CF3CO2H/K2S2O8 is available to various amides with N-substituted by linear alkanes, cyclic alkanes, and electron-deficient benzyl compounds in this reaction. Acyloxylated products could be transformed easily to the corresponding beta-hydroxy amides.

  DOI：

  10.1021/ol403393w

文献信息

• Palladium-Catalyzed β-Acyloxylation of Simple Amide <i>via</i> sp³ C–H Activation
  作者：Lihong Zhou、Wenjun Lu

  DOI：10.1021/ol403393w

  日期：2014.1.17

  beta-Acylcoxy amides are prepared in moderate to high yields by palladium-catalyzed acyloxylation of primary sp(3) C-H bonds from simple amides without any special directing group. A catalytic system of Pd(OAc)(2)/CF3CO2H/K2S2O8 is available to various amides with N-substituted by linear alkanes, cyclic alkanes, and electron-deficient benzyl compounds in this reaction. Acyloxylated products could be transformed easily to the corresponding beta-hydroxy amides.