Trimethyl-(1-octyl-5-phenyltriazol-4-yl)silane | 1144506-54-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Trimethyl-(1-octyl-5-phenyltriazol-4-yl)silane
• 英文别名: trimethyl-(1-octyl-5-phenyltriazol-4-yl)silane
• CAS: 1144506-54-6
• 化学式: C₁₉H₃₁N₃Si
• 分子量: 329.561
• InChiKey: XRFGOCQDAWUOAI-UHFFFAOYSA-N

物化性质

• 沸点：
  447.1±47.0 °C(predicted)
• 密度：
  0.97±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.85
• 重原子数：
  23
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  碘苯 、 在 copper(l) chloride 、 lithium tert-butoxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 9.0h， 以23%的产率得到Trimethyl-(1-octyl-5-phenyltriazol-4-yl)silane
  参考文献：
  名称：

  Copper(I)-Catalyzed Direct Arylation of 1,4-Disubstituted 1,2,3-Triazoles with Aryl Iodides

  摘要：

  Treatment of 1,4-disubstituted 1,2,3-triazoles with aryl iodides in the presence of a catalytic amount of copper chloride and lithium tert-butoxide (stoichiometric) in DMF at 140 degrees C leads to arylation at the 5-position. Various combinations of substituted aryl iodides and 1,4-disubstituted 1,2,3-triazoles bearing functional groups were found to be compatible.

  DOI：

  10.3987/com-08-11546

文献信息

• A direct route to triazole boronic esters and their application in the synthesis of small molecule arrays
  作者：Jianhui Huang、Simon J.F. Macdonald、Anthony W.J. Cooper、Gail Fisher、Joseph P.A. Harrity

  DOI：10.1016/j.tetlet.2009.07.085

  日期：2009.9

  Alkynylboronates represent useful substrates for the direct synthesis of triazole boronic esters by their thermal cycloaddition with azides. A telescoped cycloaddition-cross-coupling protocol is reported and its employment in the synthesis of a small triazole array is disclosed. (C) 2009 Elsevier Ltd. All rights reserved.
• Copper(I)-Catalyzed Direct Arylation of 1,4-Disubstituted 1,2,3-Triazoles with Aryl Iodides
  作者：Shin-ichi Fukuzawa、Eiji Shimizu、Kenichi Ogata

  DOI：10.3987/com-08-11546

  日期：——

  Treatment of 1,4-disubstituted 1,2,3-triazoles with aryl iodides in the presence of a catalytic amount of copper chloride and lithium tert-butoxide (stoichiometric) in DMF at 140 degrees C leads to arylation at the 5-position. Various combinations of substituted aryl iodides and 1,4-disubstituted 1,2,3-triazoles bearing functional groups were found to be compatible.