N-[2-(benzotriazol-1-yl)-4-ethoxy-1-(4-methylphenyl)-2-phenoxy-4-phenylbutyl]aniline | 202396-28-9

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: N-[2-(benzotriazol-1-yl)-4-ethoxy-1-(4-methylphenyl)-2-phenoxy-4-phenylbutyl]aniline
• CAS: 202396-28-9
• 化学式: C₃₇H₃₆N₄O₂
• 分子量: 568.718
• InChiKey: HUNHFCLDVAPBOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  43
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  61.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-[2-(benzotriazol-1-yl)-4-ethoxy-1-(4-methylphenyl)-2-phenoxy-4-phenylbutyl]aniline 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 12.0h， 以64%的产率得到1-(p-tolyl)-1-phenylamino-4-phenyl-4-ethoxy-2-butanone
  参考文献：
  名称：

  Synthesis of β-Alkoxy Ketones and α‘-Functionalized β-Alkoxy Ketones Utilizing Benzotriazole-Stabilized Acyl Anion Synthons

  摘要：

  1-(alpha-Alkoxyalkyl)benzotriazoles 1a-d add to phenyl vinyl ether to form key intermediates 4a-d, which readily undergo lithiation and subsequent trapping by a variety of electrophiles to give the expected substituted derivatives 7a-d, 9a-c, 11, 13, 15, and 18 in high yields. Subsequent hydrolysis of these compounds provides a novel high-yield acyl anion synthon approach for the synthesis of beta-alkoxy ketones 8 or alpha'-functionalized beta-alkoxy ketones 10, 12, 14, 16, and 19 by short procedures from readily available starting materials.

  DOI：

  10.1021/jo971630v
• 作为产物：
  描述：

  苯基乙烯醚 在 正丁基锂 、 4-甲基苯磺酸吡啶 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 生成 N-[2-(benzotriazol-1-yl)-4-ethoxy-1-(4-methylphenyl)-2-phenoxy-4-phenylbutyl]aniline
  参考文献：
  名称：

  Synthesis of β-Alkoxy Ketones and α‘-Functionalized β-Alkoxy Ketones Utilizing Benzotriazole-Stabilized Acyl Anion Synthons

  摘要：

  1-(alpha-Alkoxyalkyl)benzotriazoles 1a-d add to phenyl vinyl ether to form key intermediates 4a-d, which readily undergo lithiation and subsequent trapping by a variety of electrophiles to give the expected substituted derivatives 7a-d, 9a-c, 11, 13, 15, and 18 in high yields. Subsequent hydrolysis of these compounds provides a novel high-yield acyl anion synthon approach for the synthesis of beta-alkoxy ketones 8 or alpha'-functionalized beta-alkoxy ketones 10, 12, 14, 16, and 19 by short procedures from readily available starting materials.

  DOI：

  10.1021/jo971630v