ethyl 2-(2-(1H-indol-3-yl)-2-oxoacetamido)acetate | 94732-17-9

• 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: ethyl 2-(2-(1H-indol-3-yl)-2-oxoacetamido)acetate
• 英文别名: N-(1H-Indol-3-yloxoacetyl)glycine ethyl ester；ethyl 2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate
• CAS: 94732-17-9
• 化学式: C₁₄H₁₄N₂O₄
• 分子量: 274.276
• InChiKey: DFYSCFGRDTZECI-UHFFFAOYSA-N

物化性质

• 密度：
  1.313±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  88.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 2-(2-(1H-indol-3-yl)-2-oxoacetamido)acetate 在 sodium hydroxide 作用下， 以78%的产率得到<(indol-3-yl)glyoxylyl>glycine
  参考文献：
  名称：

  Da Settimo; Primofiore; Marini, European Journal of Medicinal Chemistry, 1984, vol. 19, # 6, p. 507 - 511

  摘要：

  DOI：
• 作为产物：
  描述：

  吲哚 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 3.25h， 生成 ethyl 2-(2-(1H-indol-3-yl)-2-oxoacetamido)acetate
  参考文献：
  名称：

  One-pot three-component synthesis of indole-3-glyoxyl derivatives and indole-3-glyoxyl triazoles

  摘要：

  A general and efficient reaction of indole with oxalyl chloride and nucleophiles providing indole-3-glyoxyl derivatives has been developed in mild conditions. In the same fashion, the other reaction involved the addition of organic azides leading to the synthesis of indole-3-glyoxyl-1,2,3-triazoles, which proceeds smoothly generating the products in moderate to high yields. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.08.064

文献信息

• Da Settimo; Primofiore; Marini, European Journal of Medicinal Chemistry, 1984, vol. 19, # 6, p. 507 - 511
  作者：Da Settimo、Primofiore、Marini、et al.

  DOI：——

  日期：——
• One-pot three-component synthesis of indole-3-glyoxyl derivatives and indole-3-glyoxyl triazoles
  作者：Hélio A. Stefani、Stanley N.S. Vasconcelos、Frederico B. Souza、Flávia Manarin、Julio Zukerman-Schpector

  DOI：10.1016/j.tetlet.2013.08.064

  日期：2013.10

  A general and efficient reaction of indole with oxalyl chloride and nucleophiles providing indole-3-glyoxyl derivatives has been developed in mild conditions. In the same fashion, the other reaction involved the addition of organic azides leading to the synthesis of indole-3-glyoxyl-1,2,3-triazoles, which proceeds smoothly generating the products in moderate to high yields. (c) 2013 Elsevier Ltd. All rights reserved.