2-tert-butoxycarbonylamino-5-(4-trimethylsilanylethynylphenyl)imidazole-1-carboxylic acid tert-butyl ester | 1037184-00-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-tert-butoxycarbonylamino-5-(4-trimethylsilanylethynylphenyl)imidazole-1-carboxylic acid tert-butyl ester
• 英文别名: Tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[4-(2-trimethylsilylethynyl)phenyl]imidazole-1-carboxylate
• CAS: 1037184-00-1
• 化学式: C₂₄H₃₃N₃O₄Si
• 分子量: 455.629
• InChiKey: WYSBJSMJCDLTBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.91
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  82.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-tert-butoxycarbonylamino-5-(4-iodophenyl)imidazole-1-carboxylic acid tert-butyl ester 、 三甲基乙炔基硅 在 bis-triphenylphosphine-palladium(II) chloride copper(l) iodide 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以85%的产率得到2-tert-butoxycarbonylamino-5-(4-trimethylsilanylethynylphenyl)imidazole-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Synthesis of a 2-Aminoimidazole Library for Antibiofilm Screening Utilizing the Sonogashira Reaction

  摘要：

  The divergent synthesis of a 21-member library composed of 2-aminoimidazole compounds for evaluation as novel antibiofilm molecules is presented. The Sonogashira reaction was employed with three regioisomeric aryl iodides and 11 different alkynes to generate variously substituted diverse ring systems. Good to excellent yields (80-97%) for the reaction were obtained, and the products provide adequate handles for further manipulation into more advanced analogues.

  DOI：

  10.1021/jo800618q