4,6-二甲基-2-((三甲基甲硅烷基)乙炔基)嘧啶 | 86521-14-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 4,6-二甲基-2-((三甲基甲硅烷基)乙炔基)嘧啶
• 英文名称: 2-(4,6-Dimethylpyrimidin-2-yl)ethynyl-trimethylsilane
• CAS: 86521-14-4
• 化学式: C₁₁H₁₆N₂Si
• 分子量: 204.347
• InChiKey: XYUGRCYVHYTOAG-UHFFFAOYSA-N

物化性质

• 沸点：
  284.4±43.0 °C(Predicted)
• 密度：
  0.97±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.32
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,6-二甲基-2-((三甲基甲硅烷基)乙炔基)嘧啶 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以64%的产率得到(9CI)-2-乙炔-4,6-二甲基-嘧啶
  参考文献：
  名称：

  A Facile Synthesis of Ethynyl-Substituted Six-MemberedN-Heteroaromatic Compounds

  摘要：

  DOI：

  10.1055/s-1983-30319
• 作为产物：
  描述：

  三甲基乙炔基硅 、 4,6-二甲基-2-碘嘧啶 生成 4,6-二甲基-2-((三甲基甲硅烷基)乙炔基)嘧啶
  参考文献：
  名称：

  Assembly of silver(I) one- and two-dimensional coordination frameworks with 2-ethynyl-4,6-dimethylpyrimidine ligand

  摘要：

  The reactions of ethynide ligands and silver(I) trifluorocarboxylate under solvent evaporation conditions yielded two silver-organic frameworks, namely, [(AgL)(AgCF3CO2)(4)(H2O)(2)] (1) and [(AgL)(AgCF3CO2)(3)] (2) (HL = 2-ethynyl-4,6-dimethylpyrimidine). In complex 1, Ag-10 aggregates are linked by trifluoroacetate groups to produce infinite chains, which are further linked through interchain hydrogen bonds into a three-dimensional supramolecular framework. In 2, Ag-8 aggregates are fused together through trifluoroacetate groups to give rise to 2D metal-organic layer. These structural differences indicate that molar ratio of the molecular components plays important role in defining the overall structures of metal-organic frameworks. (C) 2013 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.07.045

文献信息

• A Facile Synthesis of Ethynyl-Substituted Six-Membered<i>N</i>-Heteroaromatic Compounds
  作者：Takao Sakamoto、Masafumi Shiraiwa、Yoshinori Kondo、Hiroshi Yamanaka

  DOI：10.1055/s-1983-30319

  日期：——
• SAKAMOTO, TAKAO;SHIRAIWA, MASAFUMI;KONDO, YOSHINORI;YAMANAKA, HIROSHI, SYNTHESIS, BRD, 1983, N 4, 312-314
  作者：SAKAMOTO, TAKAO、SHIRAIWA, MASAFUMI、KONDO, YOSHINORI、YAMANAKA, HIROSHI

  DOI：——

  日期：——
• Assembly of silver(I) one- and two-dimensional coordination frameworks with 2-ethynyl-4,6-dimethylpyrimidine ligand
  作者：Bo Li、Wei-Kang Wang、Shuang-Quan Zang、Thomas C.W. Mak

  DOI：10.1016/j.jorganchem.2013.07.045

  日期：2013.11

  The reactions of ethynide ligands and silver(I) trifluorocarboxylate under solvent evaporation conditions yielded two silver-organic frameworks, namely, [(AgL)(AgCF3CO2)(4)(H2O)(2)] (1) and [(AgL)(AgCF3CO2)(3)] (2) (HL = 2-ethynyl-4,6-dimethylpyrimidine). In complex 1, Ag-10 aggregates are linked by trifluoroacetate groups to produce infinite chains, which are further linked through interchain hydrogen bonds into a three-dimensional supramolecular framework. In 2, Ag-8 aggregates are fused together through trifluoroacetate groups to give rise to 2D metal-organic layer. These structural differences indicate that molar ratio of the molecular components plays important role in defining the overall structures of metal-organic frameworks. (C) 2013 Elsevier B. V. All rights reserved.