5-benzyl-1,3-dimethyl-1H-pyrimidine-2,4-dione | 28495-87-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-benzyl-1,3-dimethyl-1H-pyrimidine-2,4-dione
• 英文别名: 5-Benzyl-1,3-dimethyluracil；1,3-Dimethyl-5-benzyluracil；5-benzyl-1,3-dimethylpyrimidine-2,4-dione
• CAS: 28495-87-6
• 化学式: C₁₃H₁₄N₂O₂
• 分子量: 230.266
• InChiKey: RRKHAJSWFATKKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-benzyl-1,3-dimethyl-1H-pyrimidine-2,4-dione 在 氘代甲醇 作用下， 反应 36.0h， 以33%的产率得到
  参考文献：
  名称：

  DNA−Protein Cross-Linking:  Model Systems for Pyrimidine−Aromatic Amino Acid Cross-Linking

  摘要：

  We have synthesized simple model systems to explore the possibility of photo-cross-linking between the pyrimidine bases and the side chains of the aromatic amino acids. Thymine/phenylalanine and thymine/tyrosine models gave cross-links, and thymine/tryptophan models gave complex mixtures; the cytosine/phenylalanine model was unreactive. The quantum yields for the model cross-linking reactions were 18-46 times smaller than those for thymine dimer formation. Biphotonic excitation contributes little to the yield of these reactions.

  DOI：

  10.1021/ol052876m
• 作为产物：
  描述：

  四苯基锡 、 5-(chloromethyl)-1,3-dimethyluracil 在 tris-(dibenzylideneacetone)dipalladium(0) 、 三苯胂 作用下， 以 四氢呋喃 为溶剂， 生成 5-benzyl-1,3-dimethyl-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Wagner, Roman; Dvorak, Dalimil; Holy, Antonin, Collection of Czechoslovak Chemical Communications, 1996, vol. 61, p. S118 - S119

  摘要：

  DOI：

文献信息

• Pyrimidine to pyrimidine transformation process
  申请人：Research Corporation

  公开号：US04171429A1

  公开（公告）日：1979-10-16

  There is provided a novel process for pyrimidine to pyrimidine transformations by the displacement of the 1,2,3-portion of a pyrimidine by a 1,3-ambident nucleophile. The novel process requires that the 1 and 3 nitrogens of the pyrimidine moiety be substituted. The novel process makes available, inter alia, novel uracils, simple methods of radioisotopically labeling pyrimidine nuclei, a simple and inexpensive method of preparing the important antiviral and antileukemic material pseudoisocytidine and its new active analog 2'-deoxypseudoisocytidine.

  提供了一种新的嘧啶转化为嘧啶的方法，通过1,3-双亲核烷基在嘧啶的1,2,3-部分的取代来实现。这种新方法要求嘧啶基团的1和3氮原子被取代。该新方法提供了新的尿嘧啶，放射性同位素标记嘧啶核的简单方法，以及制备重要的抗病毒和抗白血病材料伪异胞嘧啶及其新的活性类似物2'-去氧伪异胞嘧啶的简单且廉价方法。
• US4171429A
  申请人：——

  公开号：US4171429A

  公开（公告）日：1979-10-16
• DNA−Protein Cross-Linking:  Model Systems for Pyrimidine−Aromatic Amino Acid Cross-Linking
  作者：Guangxing Sun、Christopher J. Fecko、Robert B. Nicewonger、Watt W. Webb、Tadhg P. Begley

  DOI：10.1021/ol052876m

  日期：2006.2.1

  We have synthesized simple model systems to explore the possibility of photo-cross-linking between the pyrimidine bases and the side chains of the aromatic amino acids. Thymine/phenylalanine and thymine/tyrosine models gave cross-links, and thymine/tryptophan models gave complex mixtures; the cytosine/phenylalanine model was unreactive. The quantum yields for the model cross-linking reactions were 18-46 times smaller than those for thymine dimer formation. Biphotonic excitation contributes little to the yield of these reactions.
• Wagner, Roman; Dvorak, Dalimil; Holy, Antonin, Collection of Czechoslovak Chemical Communications, 1996, vol. 61, p. S118 - S119
  作者：Wagner, Roman、Dvorak, Dalimil、Holy, Antonin

  DOI：——

  日期：——