3-methyl-N-<2-(trimethoxysilyl)ethyl>pyrazole | 74992-29-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-methyl-N-<2-(trimethoxysilyl)ethyl>pyrazole
• 英文别名: 5-methyl-1-[2-(trimethoxysilyl)ethyl]-1H-pyrazole；trimethoxy-[2-(5-methylpyrazol-1-yl)ethyl]silane
• CAS: 74992-29-3
• 化学式: C₉H₁₈N₂O₃Si
• 分子量: 230.339
• InChiKey: ZERNVEKUYSSMLM-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 、 3-methyl-N-<2-(trimethoxysilyl)ethyl>pyrazole 以46%的产率得到5-methyl-1-(2-silatranylethyl)-1H-pyrazole
  参考文献：
  名称：

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

  摘要：

  Organosilicon pyrazole derivatives containing a 2-siltranylethyl fragment on the nitrogen atom were synthesized, and their structural and stereoelectronic parameters were determined by X-ray analysis and H-1, C-13, and Si-29 NMR spectroscopy. The nature of interaction between the pyrazole and silatrane fragments was studied.

  DOI：

  10.1134/s1070363211120097
• 作为产物：
  描述：

  3-甲基吡唑 、 乙烯基三甲氧基硅烷 生成 3-methyl-N-<2-(trimethoxysilyl)ethyl>pyrazole
  参考文献：
  名称：

  SHELUDYAKOV V. D.; SHELUDYAKOVA S. V.; KISIN A. V.; KUZNETSOVA M. G.; MIR+, ZH. OBSHCH. XIMII, 1980, 50, HO 4, 871-874

  摘要：

  DOI：

文献信息

• Sheludyakov, V. D.; Sheludyakova, S. V.; Kisin, A. V., Journal of general chemistry of the USSR, 1980, vol. 50, # 4, p. 702 - 704
  作者：Sheludyakov, V. D.、Sheludyakova, S. V.、Kisin, A. V.、Kuznetsova, M. G.、Mironov, V. F.

  DOI：——

  日期：——
• Study of the addition of diazoles to vinylsilanes
  作者：V. D. Sheludyakov、N. E. Kuz’mina、A. M. Abramkin、D. A. Cheshkov、P. A. Storozhenko

  DOI：10.1134/s1070363211120073

  日期：2011.12

  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.