tert-butyl 2-cyano-3-(4-nitrophenyl)propanoate | 1116021-80-7

• 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: tert-butyl 2-cyano-3-(4-nitrophenyl)propanoate
• CAS: 1116021-80-7
• 化学式: C₁₄H₁₆N₂O₄
• 分子量: 276.292
• InChiKey: UICMYCLCYIQFCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  95.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  对硝基苯甲醇 、 氰乙酸叔丁酯 在 氢氧化钾 、 bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] 作用下， 反应 8.0h， 以57%的产率得到tert-butyl 2-cyano-3-(4-nitrophenyl)propanoate
  参考文献：
  名称：

  Iridium catalysed alkylation of tert-butyl cyanoacetate with alcohols under solvent free conditions

  摘要：

  Ir-catalysed alkylation of rert-butyl cyanoacetate with a range of substituted benzyl and heteroaryl alcohols under solvent free conditions afforded the corresponding monoalkylated products in moderate to high yields. (C) 2008 Flsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.11.040

文献信息

• One-Pot Approach for C-C Bond Formation through Ruthenium-Amido Complex Catalyzed Tandem Aldol Reaction/Hydrogenation
  作者：Hong Liu、Haifeng Sun、Deju Ye、Hualiang Jiang、Kaixian Chen

  DOI：10.1055/s-0029-1218815

  日期：2010.8

  efficient approach was developed for the α-alkylation of various nitriles with carbonyl compounds using ruthenium-amido complex catalyst 1. The C-C bond was formed through aldol reaction followed by hydrogenation with triethylamine-formic acid (TEAF) and 1. Moderate to high yields were obtained, and a variety of functional groups were tolerated, including nitro and chloro groups, and a furan ring. ruthenium-amido

  开发了一种一锅新颖有效的方法，使用钌-酰胺基络合物催化剂1将各种腈与羰基化合物进行α-烷基化。CC键通过醛醇缩合反应形成，然后用三乙胺-甲酸（TEAF）和1氢化。获得了中等至高收率，并且容许各种官能团，包括硝基和氯基团以及呋喃环。 钌-酰胺基络合物-串联反应-羟醛反应-氢化-CC键
• Iridium catalysed alkylation of tert-butyl cyanoacetate with alcohols under solvent free conditions
  作者：Ronald Grigg、Christian Lofberg、Simon Whitney、Visuvanathar Sridharan、Ann Keep、Andrew Derrick

  DOI：10.1016/j.tet.2008.11.040

  日期：2009.1

  Ir-catalysed alkylation of rert-butyl cyanoacetate with a range of substituted benzyl and heteroaryl alcohols under solvent free conditions afforded the corresponding monoalkylated products in moderate to high yields. (C) 2008 Flsevier Ltd. All rights reserved.