methyl 2-(2-ethylbutanamido)acetate | 599163-76-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl 2-(2-ethylbutanamido)acetate
• 英文别名: methyl N-(2-ethylbutanoyl)glycinate；methyl 2-(2-ethylbutanoylamino)acetate
• CAS: 599163-76-5
• 化学式: C₉H₁₇NO₃
• mdl: MFCD03638127
• 分子量: 187.239
• InChiKey: ANFAZSMDINCWBP-UHFFFAOYSA-N

物化性质

• 沸点：
  298.3±13.0 °C(Predicted)
• 密度：
  1.001±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 2-(2-ethylbutanamido)acetate 、 三氟乙酸 在 dipotassium peroxodisulfate 、 palladium diacetate 作用下， 反应 4.0h， 以10%的产率得到
  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-乙基丁酰氯 、 甘胺酸甲酯 在 三乙胺 作用下， 以 乙酸乙酯 为溶剂， 生成 methyl 2-(2-ethylbutanamido)acetate
  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.