bis(1-methyl-2-imidazolyl)(1-trityl-4-imidazolyl)carbinol | 256370-97-5

• 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: bis(1-methyl-2-imidazolyl)(1-trityl-4-imidazolyl)carbinol
• 英文别名: Bis(1-methylimidazol-2-yl)-(1-tritylimidazol-4-yl)methanol；bis(1-methylimidazol-2-yl)-(1-tritylimidazol-4-yl)methanol
• CAS: 256370-97-5
• 化学式: C₃₁H₂₈N₆O
• 分子量: 500.603
• InChiKey: KTDWQQKUKDFBOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  38
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  73.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  bis(1-methyl-2-imidazolyl)(1-trityl-4-imidazolyl)carbinol 在 sodium hydride 、 caesium carbonate 、 三氟乙酸 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 48.0h， 生成 C₈₀H₈₁N₁₃O₃
  参考文献：
  名称：

  Efficient Synthesis of a Porphyrin−N-Tripod Conjugate with Covalently Linked Proximal Ligand:  Toward New-Generation Active-Site Models of Cytochrome c Oxidase

  摘要：

  [GRAPHICS]A new generation cytochrome c oxidase active-site model compound (4) featuring both a trisimidazolyl moiety and a proximal base has been designed and efficiently synthesized. During this study, a facile method based on the chemistry of a 4 magnesioimidazole derivative to synthesize 4-imidazolyl-containing tripodal ligands (7) has been developed.

  DOI：

  10.1021/ol9911730
• 作为产物：
  描述：

  1-三苯甲基-4-碘咪唑 、 BMIK 双(1-甲基-2-咪唑基)甲酮 在 乙基溴化镁 作用下， 以 乙醚 为溶剂， 反应 2.0h， 以67%的产率得到bis(1-methyl-2-imidazolyl)(1-trityl-4-imidazolyl)carbinol
  参考文献：
  名称：

  Efficient Synthesis of a Porphyrin−N-Tripod Conjugate with Covalently Linked Proximal Ligand:  Toward New-Generation Active-Site Models of Cytochrome c Oxidase

  摘要：

  [GRAPHICS]A new generation cytochrome c oxidase active-site model compound (4) featuring both a trisimidazolyl moiety and a proximal base has been designed and efficiently synthesized. During this study, a facile method based on the chemistry of a 4 magnesioimidazole derivative to synthesize 4-imidazolyl-containing tripodal ligands (7) has been developed.

  DOI：

  10.1021/ol9911730

文献信息

• Efficient Synthesis of a Porphyrin−N-Tripod Conjugate with Covalently Linked Proximal Ligand:  Toward New-Generation Active-Site Models of Cytochrome <i>c</i> Oxidase
  作者：James P. Collman、Min Zhong、Zhong Wang、Miroslav Rapta、Eric Rose

  DOI：10.1021/ol9911730

  日期：1999.12.1

  [GRAPHICS]A new generation cytochrome c oxidase active-site model compound (4) featuring both a trisimidazolyl moiety and a proximal base has been designed and efficiently synthesized. During this study, a facile method based on the chemistry of a 4 magnesioimidazole derivative to synthesize 4-imidazolyl-containing tripodal ligands (7) has been developed.