1-(1-Ethoxy-3-phenoxy-1-phenylpentan-3-yl)benzotriazole | 202396-12-1

• 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-(1-Ethoxy-3-phenoxy-1-phenylpentan-3-yl)benzotriazole
• CAS: 202396-12-1
• 化学式: C₂₅H₂₇N₃O₂
• 分子量: 401.508
• InChiKey: JUUOKXLHDDHNIH-UHFFFAOYSA-N

物化性质

• 沸点：
  567.9±50.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  49.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(1-Ethoxy-3-phenoxy-1-phenylpentan-3-yl)benzotriazole 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 12.0h， 生成 1-Ethoxy-1-phenylpentan-3-one
  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 1-(1-Ethoxy-3-phenoxy-1-phenylpentan-3-yl)benzotriazole
  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

文献信息

• Synthesis of β-Alkoxy Ketones and α‘-Functionalized β-Alkoxy Ketones Utilizing Benzotriazole-Stabilized Acyl Anion Synthons
  作者：Alan R. Katritzky、Daming Feng、Ming Qi

  DOI：10.1021/jo971630v

  日期：1998.3.1

  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.