(E)-4-Benzotriazol-1-yl-2-methyl-6-phenyl-hex-5-en-3-ol | 1025913-06-7

• 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: (E)-4-Benzotriazol-1-yl-2-methyl-6-phenyl-hex-5-en-3-ol
• 英文别名: (E)-4-(benzotriazol-1-yl)-2-methyl-6-phenylhex-5-en-3-ol
• CAS: 1025913-06-7
• 化学式: C₁₉H₂₁N₃O
• 分子量: 307.395
• InChiKey: QKBNXUPIBBHGBD-OUKQBFOZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  50.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (E)-4-Benzotriazol-1-yl-2-methyl-6-phenyl-hex-5-en-3-ol 在 titanium(III) chloride 、 lithium 作用下， 以 乙二醇二甲醚 为溶剂， 反应 24.0h， 生成 (E/Z)/(E/E)(5-methylhexa-1,3-dien-1-yl)benzene
  参考文献：
  名称：

  Stereoselective Olefination of Carbonyl Compounds with N-Benzyl- and N-Allylbenzotriazoles by Low-Valent Titanium-Promoted Dehydroxybenzotriazolylation

  摘要：

  DOI：

  10.1021/jo962035g
• 作为产物：
  描述：

  T406石油添加剂 在 sodium hydroxide 、 正丁基锂 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成 (E)-4-Benzotriazol-1-yl-2-methyl-6-phenyl-hex-5-en-3-ol
  参考文献：
  名称：

  Stereoselective Olefination of Carbonyl Compounds with N-Benzyl- and N-Allylbenzotriazoles by Low-Valent Titanium-Promoted Dehydroxybenzotriazolylation

  摘要：

  DOI：

  10.1021/jo962035g

文献信息

• Trans-Selective Olefination of Carbonyl Compounds by Low-Valent Titanium-Mediated Dehydroxybenzotriazolylation
  作者：Alan R. Katritzky、Dai Cheng、Scott A. Henderson、Jianqing Li

  DOI：10.1021/jo980616v

  日期：1998.9.1

  Lithiation with n-butyllithium of a variety of benzotriazole derivatives 1a-f and 5a-d, all containing a proton alpha to the benzotriazolyl moiety, gave anions which underwent addition to aliphatic, aromatic, and alpha,beta-unsaturated aldehydes and cyclic and acyclic ketones. The resultant N-(beta-hydroxyalkyl)benzotriazole derivatives 3a-m, 6a-g, 9a-d, and 10a were dehydroxybenzotriazolylated when treated with low-valent titanium to give alkenes 4a-m, dienes 7a-j, and triene 11a, with selectivity for the trans isomers without separation of diastereoisomeric intermediates. This method offers an alternative to the three most frequently used methods for the formation of alkenes from carbonyl compounds-the Wittig, Peterson, and Julia reactions-especially in the formation of tri- and tetrasubstituted alkenes.
• Stereoselective Olefination of Carbonyl Compounds with <i>N</i>-Benzyl- and <i>N</i>-Allylbenzotriazoles by Low-Valent Titanium-Promoted Dehydroxybenzotriazolylation
  作者：Alan R. Katritzky、Jianqing Li

  DOI：10.1021/jo962035g

  日期：1997.1.1