1-undecyl-10-enyl-3-methylthymine | 476691-70-0

• 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: 1-undecyl-10-enyl-3-methylthymine
• CAS: 476691-70-0
• 化学式: C₁₇H₂₈N₂O₂
• 分子量: 292.422
• InChiKey: AJGZGMGBPWFRKU-UHFFFAOYSA-N

物化性质

• 沸点：
  384.2±25.0 °C(Predicted)
• 密度：
  0.994±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.16
• 重原子数：
  21.0
• 可旋转键数：
  10.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  44.0
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1-undecyl-10-enyl-3-methylthymine 、 三甲氧基硅烷 在 dihydrogen hexachloroplatinate 作用下， 以 甲苯 为溶剂， 反应 16.0h， 以70%的产率得到3,5-Dimethyl-1-(11-trimethoxysilylundecyl)pyrimidine-2,4-dione
  参考文献：
  名称：

  Organization of Microcrystals on Glass by Adenine−Thymine Hydrogen Bonding

  摘要：

  Shaking of adenine-tethering glass plates in an aqueous suspension of micrometer-sized, thymine-tethering zeolite crystals such as ZSM-5 (0.6 mum x 1.7 mum x 2.5 mum) or zeolite-A (1.7 mum x 1.7 mum x 1.7 mum) for 3 h at room temperature leads to facile assembly of monolayers of the zeolite microcrystals on the glass plates through the hydrogen-bonding interaction between the tethered adenine and thymine. Control experiments show that the presence of adenine and thymine on the respective solid surface is essential for the monolayer assembly. This establishes that even the micrometer-sized building blocks can be organized by a large number of well-defined weak hydrogen bonding. Increase in the assembly temperature to annealing temperatures leads to a marked increase in the rate of monolayer assembly and in the size of the domain in which zeolite crystals are closely packed in the same three-dimensional orientation.

  DOI：

  10.1021/ja0270569
• 作为产物：
  描述：

  O,O-二(三甲基甲硅烷基)胸苷 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 30.5h， 生成 1-undecyl-10-enyl-3-methylthymine
  参考文献：
  名称：

  Organization of Microcrystals on Glass by Adenine−Thymine Hydrogen Bonding

  摘要：

  Shaking of adenine-tethering glass plates in an aqueous suspension of micrometer-sized, thymine-tethering zeolite crystals such as ZSM-5 (0.6 mum x 1.7 mum x 2.5 mum) or zeolite-A (1.7 mum x 1.7 mum x 1.7 mum) for 3 h at room temperature leads to facile assembly of monolayers of the zeolite microcrystals on the glass plates through the hydrogen-bonding interaction between the tethered adenine and thymine. Control experiments show that the presence of adenine and thymine on the respective solid surface is essential for the monolayer assembly. This establishes that even the micrometer-sized building blocks can be organized by a large number of well-defined weak hydrogen bonding. Increase in the assembly temperature to annealing temperatures leads to a marked increase in the rate of monolayer assembly and in the size of the domain in which zeolite crystals are closely packed in the same three-dimensional orientation.

  DOI：

  10.1021/ja0270569