[3-(Trifluoromethyl)phenyl]nitroacetic acid ethyl ester

• 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: [3-(Trifluoromethyl)phenyl]nitroacetic acid ethyl ester
• 英文别名: ethyl 2-nitro-2-[3-(trifluoromethyl)phenyl]acetate
• 化学式: C₁₂H₁₁N₂OPol
• 分子量: 277.2
• InChiKey: QHEWGHYLGOVIRI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  溴乙酸 、 [3-(Trifluoromethyl)phenyl]nitroacetic acid ethyl ester 在 N,N'-二异丙基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 生成 ethyl 2-(6-methoxynaphthalen-2-yl)-2-nitroacetate
  参考文献：
  名称：

  N-Naphthyl Peptoid Foldamers Exhibiting Atropisomerism

  摘要：

  We introduce peptoid oligomers incorporating N-(1)-naphthyl glycine monomers. Axial chirality was established due to restricted rotation about the C-N(aryl) bond. Atropisomerism of both linear and cyclic peptoids was investigated by computational analysis, dynamic HPLC, and X-ray crystallographic studies.

  DOI：

  10.1021/ol203452f
• 作为产物：
  描述：

  (2R)-N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)-2-methylpiperazine-1-carbothioamide 、 1-萘胺 反应 0.33h， 生成 [3-(Trifluoromethyl)phenyl]nitroacetic acid ethyl ester
  参考文献：
  名称：

  N-Naphthyl Peptoid Foldamers Exhibiting Atropisomerism

  摘要：

  We introduce peptoid oligomers incorporating N-(1)-naphthyl glycine monomers. Axial chirality was established due to restricted rotation about the C-N(aryl) bond. Atropisomerism of both linear and cyclic peptoids was investigated by computational analysis, dynamic HPLC, and X-ray crystallographic studies.

  DOI：

  10.1021/ol203452f

文献信息

• Efficient Palladium-Catalyzed Cross-Coupling of Highly Acidic Substrates, Nitroacetates
  作者：Alison E. Metz、Simon Berritt、Spencer D. Dreher、Marisa C. Kozlowski

  DOI：10.1021/ol203303b

  日期：2012.2.3

  Palladium-catalyzed cross-coupling conditions were developed that efficiently afford 2-aryl-2-nitroacetates from aryl bromides and the very acidic nitroacetates.
• <i>N</i>-Naphthyl Peptoid Foldamers Exhibiting Atropisomerism
  作者：Bishwajit Paul、Glenn L. Butterfoss、Mikki G. Boswell、Mia L. Huang、Richard Bonneau、Christian Wolf、Kent Kirshenbaum

  DOI：10.1021/ol203452f

  日期：2012.2.3

  We introduce peptoid oligomers incorporating N-(1)-naphthyl glycine monomers. Axial chirality was established due to restricted rotation about the C-N(aryl) bond. Atropisomerism of both linear and cyclic peptoids was investigated by computational analysis, dynamic HPLC, and X-ray crystallographic studies.