2-butyl-4-chloro-1-({2'-[1-(p-methoxybenzyl)-1H-tetrazol-5-yl]-biphenyl-4-yl}-methyl)imidazole-5-methanol | 1307853-52-6

• 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: 2-butyl-4-chloro-1-({2'-[1-(p-methoxybenzyl)-1H-tetrazol-5-yl]-biphenyl-4-yl}-methyl)imidazole-5-methanol
• 英文别名: [2-Butyl-5-chloro-3-[[4-[2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanol
• CAS: 1307853-52-6
• 化学式: C₃₀H₃₁ClN₆O₂
• 分子量: 543.068
• InChiKey: NQROQILKNZYLIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  39
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  90.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-苯基四氮唑 在 N-甲基吡咯烷酮 、 甲醇 、 sodium tetrahydroborate 、 bis-μ-dichloro(1,5-cyclooctadiene)ruthenium(II) 、 四丁基溴化铵 、 sodium methylate 、 三溴化磷 、 potassium carbonate 、 三苯基膦 作用下， 以 四氢呋喃 、 甲醇 、 氯仿 、 N,N-二甲基乙酰胺 、 水 为溶剂， 反应 21.5h， 生成 2-butyl-4-chloro-1-({2'-[1-(p-methoxybenzyl)-1H-tetrazol-5-yl]-biphenyl-4-yl}-methyl)imidazole-5-methanol
  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

文献信息

• PROCESS FOR PRODUCTION OF BIPHENYL DERIVATIVE
  申请人：Seki Masahiko

  公开号：US20120232283A1

  公开（公告）日：2012-09-13

  The invention provides a production method of a biaryltetrazole derivative useful as an intermediate for an angiotensin II receptor antagonist. The method comprises reacting an aryltetrazole derivative with a benzene derivative, deprotecting or reducing the resulting compound, and halogenating the deprotected or reduced compound

  该发明提供了一种生产方法，用作肾素II受体拮抗剂的中间体的双芳基四唑衍生物。该方法包括将芳基四唑衍生物与苯衍生物反应，去保护或还原所得化合物，并对去保护或还原的化合物进行卤代反应。
• US8530506B2
  申请人：——

  公开号：US8530506B2

  公开（公告）日：2013-09-10
• Synthesis of Angiotensin II Receptor Blockers by Means of a Catalytic System for C–H Activation
  作者：Masahiko Seki、Masaki Nagahama

  DOI：10.1021/jo202041e

  日期：2011.12.16

  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.