1-diphenylmethyl-5-phenyl-1H-tetrazole | 1301606-97-2

• 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-diphenylmethyl-5-phenyl-1H-tetrazole
• 英文别名: 1-benzhydryl-5-phenyl-1H-tetrazole
• CAS: 1301606-97-2
• 化学式: C₂₀H₁₆N₄
• 分子量: 312.374
• InChiKey: MNQSVQZNUVIWHY-UHFFFAOYSA-N

物化性质

• 熔点：
  170.4-171.6 °C
• 沸点：
  512.4±60.0 °C(predicted)
• 密度：
  1.17±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.98
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  43.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1-diphenylmethyl-5-phenyl-1H-tetrazole 、 4-溴苄基乙酸酯 在 N-甲基吡咯烷酮 、 rhodium(III) chloride hydrate 、 potassium carbonate 、 三苯基膦 作用下， 反应 12.0h， 以7%的产率得到{2'-[1-(diphenylmethyl)-1H-tetrazol-5-yl]biphenyl-4-yl}methyl acetate
  参考文献：
  名称：

  Synthesis of Angiotensin II Receptor Blockers by Means of a Catalytic System for C–H Activation

  摘要：

  A highly efficient catalytic system for C-H activation has been worked out that involves inexpensive RuCl3.xH(2)O and a specific amount of PPh3. This procedure has been successfully applied to a practical synthesis of angiotensin II receptor blockers (ARBs). The residual ruthenium that existed in the reaction mixture was thoroughly removed by treatment with properly selected metal scavengers. The new process permits ready access to the important class of drugs in a highly atom-economical and sustainable manner.

  DOI：

  10.1021/jo202041e
• 作为产物：
  描述：

  5-苯基四氮唑 、 二苯基甲烷 在 过氧化苯甲酰 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 6.0h， 以5%的产率得到1-diphenylmethyl-5-phenyl-1H-tetrazole
  参考文献：
  名称：

  Metal-free cross-dehydrogenative C–N coupling of azoles with xanthenes and related activated arylmethylenes

  摘要：

  A metal-free C(sp(3))-H/N-H cross-coupling of azoles with xanthenes and related activated arylmethylenes is presented. Both the use of azoles and the activation pattern of C(sp(3))-H sources are essential for this transformation. In the presence of 2.0 equiv of benzoyl peroxide (BPO), methylenes bearing a heteroatom-bridged bisaryl group reacted with various azolic N-H sources to afford C-N bond forming products in usually excellent or quantitative yields, and the diphenylmethane and methylenes coactivated by a phenyl group and an adjacent heteroatom are less reactive. Mechanistic investigations suggest that a radical/radical cross-coupling pathway might be involved.[GRAPHICS].

  DOI：

  10.1080/00397911.2019.1615097