| 1391935-19-5

• 分子结构分类: 有机化合物 - 苯类化合物
• CAS: 1391935-19-5
• 化学式: C₂₀H₂₉AgN₂O
• 分子量: 421.331
• InChiKey: KKSCWZVABAXTIC-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  5.12
• 重原子数：
  24.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  15.71
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  二氯(p-甲基异丙苯)钌(II) 二聚体 、 以 二氯甲烷 为溶剂， 以99%的产率得到2,4-ditert-butyl-6-(3-propan-2-yl-2H-imidazol-3-ium-2-id-1-yl)phenolate;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);chloride
  参考文献：
  名称：

  Synthesis, Structures, and Norbornene ROMP Behavior of o-Aryloxide-N-Heterocyclic Carbene p-Cymene Ruthenium Complexes

  摘要：

  Treatment of the o-hydroxyaryl imidazolium proligands (2-OH-3,5-(Bu2C6H2)-Bu-t)(R)(C3H3N2)Br-+(-) (R = Pr-i (Ia), Bu-t (1b), Ph (1c), Mes (1d)) with 3 equiv of Ag2O afforded the corresponding silver complexes 2a-d. The subsequent metal-exchange reactions with [(p-cymene)-RuCl2](2) at room temperature yielded the desired o-aryloxide-N-heterocyclic carbene p-cymene ruthenium complexes 3a-d in nearly quantitative yields. All the complexes were characterized by H-1 and C-13 NMR, high-resolution mass spectrometry (HRMS), and elemental analysis. The molecular structure of complex 3b was determined by single-crystal X-ray diffraction analysis. The ring-opening metathesis polymerization (ROMP) of norbornene (NBE) with 3a-d was studied. Among them, complex 3d showed high activity and efficiency toward ROMP of NBE at 85 degrees C without the need for any cocatalyst, and polymers with very high molecular weight (>10(6)) and narrow molecular weight distributions were obtained. This complex can also catalyze the alternating copolymerization of NBE and cyclooctene (COE).

  DOI：

  10.1021/om300474n
• 作为产物：
  描述：

  (2-HO-3,5-(t-Bu)2C6H2NCH=CHN(i-Pr)CH)Br 、 silver(l) oxide 以 二氯甲烷 为溶剂， 反应 4.0h， 以99%的产率得到
  参考文献：
  名称：

  Synthesis, Structures, and Norbornene ROMP Behavior of o-Aryloxide-N-Heterocyclic Carbene p-Cymene Ruthenium Complexes

  摘要：

  Treatment of the o-hydroxyaryl imidazolium proligands (2-OH-3,5-(Bu2C6H2)-Bu-t)(R)(C3H3N2)Br-+(-) (R = Pr-i (Ia), Bu-t (1b), Ph (1c), Mes (1d)) with 3 equiv of Ag2O afforded the corresponding silver complexes 2a-d. The subsequent metal-exchange reactions with [(p-cymene)-RuCl2](2) at room temperature yielded the desired o-aryloxide-N-heterocyclic carbene p-cymene ruthenium complexes 3a-d in nearly quantitative yields. All the complexes were characterized by H-1 and C-13 NMR, high-resolution mass spectrometry (HRMS), and elemental analysis. The molecular structure of complex 3b was determined by single-crystal X-ray diffraction analysis. The ring-opening metathesis polymerization (ROMP) of norbornene (NBE) with 3a-d was studied. Among them, complex 3d showed high activity and efficiency toward ROMP of NBE at 85 degrees C without the need for any cocatalyst, and polymers with very high molecular weight (>10(6)) and narrow molecular weight distributions were obtained. This complex can also catalyze the alternating copolymerization of NBE and cyclooctene (COE).

  DOI：

  10.1021/om300474n
• 作为试剂：
  描述：

  2-氯乙基乙基硫醚 在 C₂₀H₂₉AgN₂O 、 silver(l) oxide 作用下， 以 氘代乙腈 为溶剂， 反应 5.0h， 生成 乙基乙烯基硫醚
  参考文献：
  名称：

  空气和湿气稳定的NHC金属配合物对化学战剂模拟物的破坏†

  摘要：

  已发现NHC和金属中心的协同作用会破坏化学战剂（CWA）模拟物。金属和NHC的选择是这些转变的关键，因为简单的单齿N-杂环卡宾与银或钒的结合可以促进化学计量的破坏，而银和碱金属的由芳氧基连接的NHC络合物在温和加热下会促进分解。原位生成的铁– NHC复合物是破坏三种目标CWA模拟物中的每一种的有效催化剂。

  DOI：

  10.1039/c7dt04805j