1-Methyl-3-phenyl-5-trimethylsilanylethynyl-1H-pyrazole | 890133-60-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-Methyl-3-phenyl-5-trimethylsilanylethynyl-1H-pyrazole
• CAS: 890133-60-5
• 化学式: C₁₅H₁₈N₂Si
• 分子量: 254.407
• InChiKey: WHRZSUCFPOTTOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.32
• 重原子数：
  18.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  17.82
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-Methyl-3-phenyl-5-trimethylsilanylethynyl-1H-pyrazole 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 以100%的产率得到5-ethynyl-1-methyl-3-phenyl-1H-pyrazole
  参考文献：
  名称：

  Synthesis of linked heterocycles via use of bis-acetylenic compounds

  摘要：

  Linked bis-pyrazoles, a pyrazolyl-isoxazole, a pyrazolyl-pyrimidine and a pyrazolyl-triazole were synthesized starting with commercially available 1,4-bis(trimethylsilyl)-1,3-butadiyne 1 or readily available bis-acetylenic diketone 22. A stepwise approach based on the use of 1 allowed the synthesis of nonsymmetrically substituted bis-pyrazoles and linked heterocycles with two different cores whereas a symmetric approach based on the use of 22 allowed a very short synthesis of symmetric bis-pyrazoles. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.03.052
• 作为产物：
  描述：

  苯甲酰氯 、 alkaline earth salt of/the/ methylsulfuric acid 在 三氯化铝 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 1-Methyl-3-phenyl-5-trimethylsilanylethynyl-1H-pyrazole
  参考文献：
  名称：

  Synthesis of linked heterocycles via use of bis-acetylenic compounds

  摘要：

  Linked bis-pyrazoles, a pyrazolyl-isoxazole, a pyrazolyl-pyrimidine and a pyrazolyl-triazole were synthesized starting with commercially available 1,4-bis(trimethylsilyl)-1,3-butadiyne 1 or readily available bis-acetylenic diketone 22. A stepwise approach based on the use of 1 allowed the synthesis of nonsymmetrically substituted bis-pyrazoles and linked heterocycles with two different cores whereas a symmetric approach based on the use of 22 allowed a very short synthesis of symmetric bis-pyrazoles. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.03.052