5-methyl-1-[2-(trimethoxysilyl)ethyl]-1H-imidazole | 1357558-68-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-methyl-1-[2-(trimethoxysilyl)ethyl]-1H-imidazole
• 英文别名: trimethoxy-[2-(5-methylimidazol-1-yl)ethyl]silane
• CAS: 1357558-68-9
• 化学式: C₉H₁₈N₂O₃Si
• 分子量: 230.339
• InChiKey: YUPBMCSKBLCSGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.07
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  45.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  三乙醇胺 、 5-methyl-1-[2-(trimethoxysilyl)ethyl]-1H-imidazole 以30%的产率得到5-methyl-1-(2-silatranylethyl)-1H-imidazole
  参考文献：
  名称：

  Synthesis and structure of N-(2-silatranylethyl)imidazoles

  摘要：

  Organosilicon imidazole derivatives containing a 2-silatranylethyl [N(CH2CH2O)(3)Si(CH2)(2)] group on the nitrogen atom were synthesized, and their steric and electronic structures, including the nature of interaction between the imidazole and silatrane fragments, were studied by X-ray analysis and H-1, C-13, and Si-29 NMR spectroscopy.

  DOI：

  10.1134/s1070363211120085
• 作为产物：
  描述：

  乙烯基三甲氧基硅烷 、 4-甲基咪唑 在 lithium 作用下， 反应 35.0h， 生成 4-methyl-1-[2-(trimethoxysilyl)ethyl]-1H-imidazole 、 5-methyl-1-[2-(trimethoxysilyl)ethyl]-1H-imidazole
  参考文献：
  名称：

  Study of the addition of diazoles to vinylsilanes

  摘要：

  The reaction of trimethoxy(vinyl)silane with diazoles in the presence of metal lithium was studied. The structure of the reaction products was assigned by NMR spectroscopy (H-1, C-13, Si-29, COSY, NOESY, HMBC, and HSQC). An explanation for the different reactivities of reagents (aliphatic amines, diazoles, allylalkylsilanes, vinylalkylsilanes, and vinylalkoxysilanes) was provided.

  DOI：

  10.1134/s1070363211120073