1-(4-nitrophenylsulfinyl)-2-vinylbenzene | 1150662-25-1

• 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-(4-nitrophenylsulfinyl)-2-vinylbenzene
• CAS: 1150662-25-1
• 化学式: C₁₄H₁₁NO₃S
• 分子量: 273.312
• InChiKey: QIOQMXIRSSBXQO-IBGZPJMESA-N

物化性质

• 熔点：
  84-86 °C
• 沸点：
  476.9±38.0 °C(predicted)
• 密度：
  1.36±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  19.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  60.21
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  [1,3-二氢-1,3-双(2,4,6-三甲基苯基)-2H-咪唑-2-亚基](3-苯基-1H-茚-1-亚基)(三环己基膦)二氯化钌 、 1-(4-nitrophenylsulfinyl)-2-vinylbenzene 在 copper(l) chloride 作用下， 以 甲苯 为溶剂， 以60%的产率得到
  参考文献：
  名称：

  Ruthenium Olefin Metathesis Initiators Bearing Chelating Sulfoxide Ligands

  摘要：

  New ruthenium olefin metathesis initiators bearing sulfoxide moieties are described. The complexes were synthesized by the reaction of indenylidene ruthenium complexes Ind-II and Ind-II' with different (2-vinyl)phenyl sulfoxides. These compounds show no catalytic activity at room temperature, but exhibit increased activity at elevated temperature. Preliminary studies on the influence of electronic and steric factors on the catalytic activity are presented.

  DOI：

  10.1021/om801183g

文献信息

• 3-Bromopyridine As a Sixth Ligand in Sulfoxide-Based Hoveyda Complexes: A Study on Catalytic Properties
  作者：Karolina Żukowska、Anna Szadkowska、Bartosz Trzaskowski、Aleksandra Pazio、Łukasz Pączek、Krzysztof Woźniak、Karol Grela

  DOI：10.1021/om400064c

  日期：2013.4.8

  A novel series of sulfoxide complexes with an additional 3-bromopyridine ligand was obtained and characterized. The initiators were compared in ring-closing metathesis reactions, showing a faster initiation of six-coordinated analogues. A theoretical study was performed utilizing the density functional theory to explain the observed reactivity differences. The results confirmed a different initiation mechanism for both compound classes, with a multistep sequence of initiation for pyridine-containing ones, explaining differences in catalytic behavior.