2-methyl-1-(1-phenethyl-1H-tetrazol-5-yl)-N-tritylpropan-1-amine | 1420536-36-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 2-methyl-1-(1-phenethyl-1H-tetrazol-5-yl)-N-tritylpropan-1-amine
• 英文别名: 2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]-N-tritylpropan-1-amine
• CAS: 1420536-36-2
• 化学式: C₃₂H₃₃N₅
• 分子量: 487.648
• InChiKey: RPJWMBFBCGORII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  37
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  55.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-methyl-1-(1-phenethyl-1H-tetrazol-5-yl)-N-tritylpropan-1-amine 、 三氟乙酸 以 二氯甲烷 为溶剂， 反应 0.02h， 以99%的产率得到2-methyl-1-(1-phenethyl-1H-tetrazol-5-yl)propan-1-amine 2,2,2-trifluoroacetate
  参考文献：
  名称：

  Tritylamine as an Ammonia Surrogate in the Ugi Tetrazole Synthesis

  摘要：

  The role of tritylamine is introduced as a convenient ammonia substitute in the Ugi tetrazole synthesis. Fifteen examples and their mild cleavage products are described In satisfactory to good yields. N-Unsubstituted alpha-aminotetrazoles are important compounds with annotated biological activities, and the described two-step synthesis provided an alternative route to otherwise difficult to access derivatives.

  DOI：

  10.1021/ol303348m
• 作为产物：
  描述：

  三苯甲胺 、 苯乙基乙腈 、 异丁醛 在 叠氮基三甲基硅烷 作用下， 以 乙醇 为溶剂， 反应 0.5h， 以76%的产率得到2-methyl-1-(1-phenethyl-1H-tetrazol-5-yl)-N-tritylpropan-1-amine
  参考文献：
  名称：

  Tritylamine as an Ammonia Surrogate in the Ugi Tetrazole Synthesis

  摘要：

  The role of tritylamine is introduced as a convenient ammonia substitute in the Ugi tetrazole synthesis. Fifteen examples and their mild cleavage products are described In satisfactory to good yields. N-Unsubstituted alpha-aminotetrazoles are important compounds with annotated biological activities, and the described two-step synthesis provided an alternative route to otherwise difficult to access derivatives.

  DOI：

  10.1021/ol303348m

文献信息

• Tritylamine as an Ammonia Surrogate in the Ugi Tetrazole Synthesis
  作者：Ting Zhao、André Boltjes、Eberhardt Herdtweck、Alexander Dömling

  DOI：10.1021/ol303348m

  日期：2013.2.1

  The role of tritylamine is introduced as a convenient ammonia substitute in the Ugi tetrazole synthesis. Fifteen examples and their mild cleavage products are described In satisfactory to good yields. N-Unsubstituted alpha-aminotetrazoles are important compounds with annotated biological activities, and the described two-step synthesis provided an alternative route to otherwise difficult to access derivatives.