2-hydroxy-2-methyl-3-(4-nitro-phenyl)-propionic acid ethyl ester | 104396-55-6

• 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: 2-hydroxy-2-methyl-3-(4-nitro-phenyl)-propionic acid ethyl ester
• 英文别名: 2-Hydroxy-2-methyl-3-(4-nitro-phenyl)-propionsaeure-aethylester；Ethyl 2-hydroxy-2-methyl-3-(4-nitrophenyl)propanoate；ethyl 2-hydroxy-2-methyl-3-(4-nitrophenyl)propanoate
• CAS: 104396-55-6
• 化学式: C₁₂H₁₅NO₅
• 分子量: 253.255
• InChiKey: FYSZBNALMBAIHM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  92.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  丙酮酸乙酯 、 1-(氯甲基)-4-硝基苯 在 四(二甲氨基)乙烯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.5h， 以73%的产率得到2-hydroxy-2-methyl-3-(4-nitro-phenyl)-propionic acid ethyl ester
  参考文献：
  名称：

  Nitrobenzylation of α-carbonyl ester derivatives using TDAE approach

  摘要：

  A series of 2-hydroxy-propionic acid ethyl ester derivatives was prepared in good yields by reaction of o- and p-nitrobenzyl chlorides (1, 8) with various alpha-carbonyl esters in presence of tetrakis(dimethylamino)ethylene (TDAE). This reaction was generalized to alpha-ketolactain and alpha-ketomalonate. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.04.166

文献信息

• 145. The Erlenmeyer reaction with aliphatic aldehydes, 2-phenyloxazol-5-one being used instead of hippuric acid
  作者：Malcolm Crawford、W. T. Little

  DOI：10.1039/jr9590000729

  日期：——
• Nitrobenzylation of α-carbonyl ester derivatives using TDAE approach
  作者：Gamal Giuglio-Tonolo、Thierry Terme、Maurice Médebielle、Patrice Vanelle

  DOI：10.1016/j.tetlet.2004.04.166

  日期：2004.6

  A series of 2-hydroxy-propionic acid ethyl ester derivatives was prepared in good yields by reaction of o- and p-nitrobenzyl chlorides (1, 8) with various alpha-carbonyl esters in presence of tetrakis(dimethylamino)ethylene (TDAE). This reaction was generalized to alpha-ketolactain and alpha-ketomalonate. (C) 2004 Elsevier Ltd. All rights reserved.