ethyl 2-acetyl-4-nitro-3-(3-nitrophenyl)butanoate | 1147762-79-5

• 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: ethyl 2-acetyl-4-nitro-3-(3-nitrophenyl)butanoate
• CAS: 1147762-79-5
• 化学式: C₁₄H₁₆N₂O₇
• 分子量: 324.29
• InChiKey: HBHNPDFLIYNFHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.72
• 重原子数：
  23.0
• 可旋转键数：
  8.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  129.65
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  间硝基苯甲醛 在 4-(triphenylphosphonio)phenolate 、 sodium hydroxide 作用下， 以 氯仿 为溶剂， 反应 1.0h， 生成 ethyl 2-acetyl-4-nitro-3-(3-nitrophenyl)butanoate
  参考文献：
  名称：

  Tetraarylphosphonium inner-salts (TAPIS) as both Lewis base catalyst and phase tag

  摘要：

  Tetraarylphosphonium inner-salts (TAPIS) have been designed, synthesized and verified as recyclable and reusable Lewis base catalysts. The resulted TAPIS catalyst has been successfully applied in Michael addition, cyanation and trifluoromethylation reactions. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2017.06.015

文献信息

• The lipase-catalyzed asymmetric C–C Michael addition
  作者：Jian-Feng Cai、Zhi Guan、Yan-Hong He

  DOI：10.1016/j.molcatb.2010.11.011

  日期：2011.3

  The example of enzyme-catalyzed asymmetric C-C Michael addition was observed using Lipozyme TLIM (immobilized lipase from Thermomyces lanuginosus) in organic medium in the presence of water. This biocatalysis is applicable to the Michael additions of a wide range of 1,3-dicarbonyl compounds and cyclohexanone to aromatic and heteroaromatic nitroolefins and cyclohexenone. The enantioselectivities up to 83% ee and yields up to 90% were achieved. The enzyme can be reused for three cycles. (C) 2010 Elsevier B.V. All rights reserved.
• Agarwal, Jyoti; Naganaboina, Ram Tilak; Peddinli, Rama Krishna, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2013, vol. 52, # 4, p. 511 - 518
  作者：Agarwal, Jyoti、Naganaboina, Ram Tilak、Peddinli, Rama Krishna

  DOI：——

  日期：——