1-[(3,4,5-trimethoxyphenyl)(phenyl)methyl]benzotriazole | 191677-41-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-[(3,4,5-trimethoxyphenyl)(phenyl)methyl]benzotriazole
• 英文别名: 1-[Phenyl-(3,4,5-trimethoxyphenyl)methyl]benzotriazole
• CAS: 191677-41-5
• 化学式: C₂₂H₂₁N₃O₃
• 分子量: 375.427
• InChiKey: BXTHBOMGXJHPLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 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：

  1,1-二苯乙烯 、 1-[(3,4,5-trimethoxyphenyl)(phenyl)methyl]benzotriazole 在 zinc dibromide 作用下， 以 二氯甲烷 为溶剂， 反应 72.0h， 以94%的产率得到1,1,3-triphenyl-5,6,7-trimethoxyindan
  参考文献：
  名称：

  Novel Route to Functionalized IndansviaFormal [3 + 2] Cycloadditions of 1-Benzylbenzotriazoles with Alkenes

  摘要：

  alpha-Functionalized 1-benzylbenzotrialzoles (3, 4 and 12), derived from the lithiation of 1-(2,3-dimethoxyhenzyl)benzotriazole 2 followed by reactions with electrophiles, or from the condensation of benzyl alcohol 11 with benzotriazole, undergo formal [3 + 2] cycloadditions with styrenes upon treatment with ZnBr2 to give functionalized indans (9, 10, 13 and 14).

  DOI：

  10.1080/00397919708004110
• 作为产物：
  描述：

  T406石油添加剂 、 (3,4,5-trimethoxyphenyl)(phenyl)methanol 在 对甲苯磺酸 作用下， 以 苯 为溶剂， 反应 72.0h， 以60%的产率得到1-[(3,4,5-trimethoxyphenyl)(phenyl)methyl]benzotriazole
  参考文献：
  名称：

  Novel Route to Functionalized IndansviaFormal [3 + 2] Cycloadditions of 1-Benzylbenzotriazoles with Alkenes

  摘要：

  alpha-Functionalized 1-benzylbenzotrialzoles (3, 4 and 12), derived from the lithiation of 1-(2,3-dimethoxyhenzyl)benzotriazole 2 followed by reactions with electrophiles, or from the condensation of benzyl alcohol 11 with benzotriazole, undergo formal [3 + 2] cycloadditions with styrenes upon treatment with ZnBr2 to give functionalized indans (9, 10, 13 and 14).

  DOI：

  10.1080/00397919708004110

文献信息

• Novel Route to Functionalized Indans<i>via</i>Formal [3 + 2] Cycloadditions of 1-Benzylbenzotriazoles with Alkenes
  作者：Alan R. Katritzky、Guifen Zhang、Linghong Xie

  DOI：10.1080/00397919708004110

  日期：1997.7

  alpha-Functionalized 1-benzylbenzotrialzoles (3, 4 and 12), derived from the lithiation of 1-(2,3-dimethoxyhenzyl)benzotriazole 2 followed by reactions with electrophiles, or from the condensation of benzyl alcohol 11 with benzotriazole, undergo formal [3 + 2] cycloadditions with styrenes upon treatment with ZnBr2 to give functionalized indans (9, 10, 13 and 14).