1-[3,3-Diethoxy-1-(2-methylpropoxy)propyl]benzotriazole | 186762-58-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: 1-[3,3-Diethoxy-1-(2-methylpropoxy)propyl]benzotriazole
• CAS: 186762-58-3
• 化学式: C₁₇H₂₇N₃O₃
• 分子量: 321.42
• InChiKey: MEMJODONWBVFAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  23
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  58.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  magnesium,ethynylbenzene,bromide 、 1-[3,3-Diethoxy-1-(2-methylpropoxy)propyl]benzotriazole 以 乙醚 、 甲苯 为溶剂， 反应 6.0h， 以37%的产率得到[5,5-Diethoxy-3-(2-methylpropoxy)pent-1-ynyl]benzene
  参考文献：
  名称：

  Lewis Acid-Catalyzed Additions of (Benzotriazol-1-yl)diethoxymethane to Enol Ethers and Enamides. New Syntheses of β-Alkoxyalkanal and β-Aminoalkanal Acetals

  摘要：

  Addition of (benzotriazol-1-yl)diethoxymethane 11 to various acyclic and cyclic enol ethers and enamides produces the corresponding adducts, which were reacted with either NaAlH4 or Grignard reagents to afford acyclic acetal-ethers (18a-f), cyclic alpha-(substituted)-beta-acetals (19a-c), amino-acetals (24a,b), and 1,3-amino-ethers (25), all known but previously difficult-to-access classes of compounds.

  DOI：

  10.1021/jo9612335
• 作为产物：
  描述：

  T406石油添加剂 在 三氟化硼乙醚 作用下， 以 various solvent(s) 为溶剂， 反应 40.0h， 生成 1-[3,3-Diethoxy-1-(2-methylpropoxy)propyl]benzotriazole
  参考文献：
  名称：

  Lewis Acid-Catalyzed Additions of (Benzotriazol-1-yl)diethoxymethane to Enol Ethers and Enamides. New Syntheses of β-Alkoxyalkanal and β-Aminoalkanal Acetals

  摘要：

  Addition of (benzotriazol-1-yl)diethoxymethane 11 to various acyclic and cyclic enol ethers and enamides produces the corresponding adducts, which were reacted with either NaAlH4 or Grignard reagents to afford acyclic acetal-ethers (18a-f), cyclic alpha-(substituted)-beta-acetals (19a-c), amino-acetals (24a,b), and 1,3-amino-ethers (25), all known but previously difficult-to-access classes of compounds.

  DOI：

  10.1021/jo9612335