(2E)-2-(benzoylamino)-3-(4,6-dimethyl-2-phenyl-5-pyrimidinyl)-2-propenoic acid | 1137464-47-1

• 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: (2E)-2-(benzoylamino)-3-(4,6-dimethyl-2-phenyl-5-pyrimidinyl)-2-propenoic acid
• 英文别名: (E)-2-(benzoylamino)-3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)propenoic acid；(E)-2-benzamido-3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)prop-2-enoic acid
• CAS: 1137464-47-1
• 化学式: C₂₂H₁₉N₃O₃
• 分子量: 373.411
• InChiKey: COXMRYVAEXWFMR-CPNJWEJPSA-N

物化性质

• 沸点：
  555.1±50.0 °C(predicted)
• 密度：
  1.270±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  92.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (2E)-2-(benzoylamino)-3-(4,6-dimethyl-2-phenyl-5-pyrimidinyl)-2-propenoic acid 在 acetylacetonatodicarbonylrhodium(l) 、 一氧化碳 、 四丁基溴化铵 、 氢气 作用下， 以 异丙醇 为溶剂， 60.0 ℃ 、10.0 MPa 条件下， 以6%的产率得到N-benzoyl-3-(4,6-dimethyl-2-phenyl-5-pyrimidinyl)alanine
  参考文献：
  名称：

  二氧化碳诱导的离子液体中铑纳米粒子的制备及其在选择性加氢中的应用

  摘要：

  在陷阱中：借助超临界CO 2可以生成催化活性的纳米颗粒并将其稳定在固体离子基质中。该方法允许使用不会被归类为离子液体的简单铵盐，并产生固体且易于处理的催化剂材料。这些材料可以选择性地催化高度位阻的芳族烯烃的氢化。

  DOI：

  10.1002/anie.200803773
• 作为产物：
  描述：

  N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)-benzamide 、 苄脒盐酸盐 在 sodium carbonate 、 盐酸 作用下， 以 水 为溶剂， 反应 0.5h， 以91%的产率得到(2E)-2-(benzoylamino)-3-(4,6-dimethyl-2-phenyl-5-pyrimidinyl)-2-propenoic acid
  参考文献：
  名称：

  An expeditious synthesis of β-pyrimidyl-α,β-didehydro-α-amino acid derivatives and pyrano[2,3-d]pyrimidines using microwave-assisted conditions

  摘要：

  An expeditious transformation of 5-acyl-2H-pyran-2-ones with various amidines as 1,3-binucleophiles into isomerically pure (E)-alpha,beta-diclehyrdro-alpha-amino acid derivatives (DDAAD) containing the 5-pyrimidyl moiety at the beta-position is described. The method was performed in ethanolic (or ethanol/water) solutions in the presence of Na2CO3 as a nontoxic base and under microwave-assisted conditions. When starting from the 5-ethoxycarbonyl-2H-pyran-2-one derivative and in the presence of DBU as a base the corresponding pyrano[2,3-d]pyrimidines were prepared. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.07.072

文献信息

• An expeditious synthesis of β-pyrimidyl-α,β-didehydro-α-amino acid derivatives and pyrano[2,3-d]pyrimidines using microwave-assisted conditions
  作者：Jure Hren、Franc Požgan、Alma Bunič、Vasile I. Parvulescu、Slovenko Polanc、Marijan Kočevar

  DOI：10.1016/j.tet.2009.07.072

  日期：2009.9

  An expeditious transformation of 5-acyl-2H-pyran-2-ones with various amidines as 1,3-binucleophiles into isomerically pure (E)-alpha,beta-diclehyrdro-alpha-amino acid derivatives (DDAAD) containing the 5-pyrimidyl moiety at the beta-position is described. The method was performed in ethanolic (or ethanol/water) solutions in the presence of Na2CO3 as a nontoxic base and under microwave-assisted conditions. When starting from the 5-ethoxycarbonyl-2H-pyran-2-one derivative and in the presence of DBU as a base the corresponding pyrano[2,3-d]pyrimidines were prepared. (C) 2009 Elsevier Ltd. All rights reserved.
• Preparation of Rhodium Nanoparticles in Carbon Dioxide Induced Ionic Liquids and their Application to Selective Hydrogenation
  作者：Valentin Cimpeanu、Marijan Kočevar、Vasile I. Parvulescu、Walter Leitner

  DOI：10.1002/anie.200803773

  日期：2009.1.26

  In the trap: Catalytically active nanoparticles can be generated and stabilized in solid ionic matrices with the aid of supercritical CO2. The method allows the use of simple ammonium salts that would not be classified as ionic liquids, and results in solid and easily handled catalyst materials. These materials can selectively catalyze the hydrogenation of highly sterically encumbered aromatic olefins

  在陷阱中：借助超临界CO 2可以生成催化活性的纳米颗粒并将其稳定在固体离子基质中。该方法允许使用不会被归类为离子液体的简单铵盐，并产生固体且易于处理的催化剂材料。这些材料可以选择性地催化高度位阻的芳族烯烃的氢化。