| 1582233-22-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• CAS: 1582233-22-4
• 化学式: Br*C₁₉H₂₁N₂OS
• 分子量: 405.359
• InChiKey: VSLJSJWGQWIFNO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.65
• 重原子数：
  24.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  25.88
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  、 palladium diacetate 以 二甲基亚砜 为溶剂， 以60%的产率得到
  参考文献：
  名称：

  Template-Directed Synthesis of Palladium(II) Sulfonate-NHC Complexes and Catalytic Studies in Aqueous Mizoroki–Heck Reactions

  摘要：

  Oxidation of easily accessible thiolato-functionalized dinuclear Pd(II) NHC complexes 1-3 by Oxone gave rise to sulfonate-NHC complexes 4-6. This represents the first template-directed approach to NHC complexes bearing sulfonate functions, where the sulfur atoms undergo a six-electron oxidation, changing their oxidation states from -II to +IV. The catalytic activities of water-soluble 4-6 were also tested in aqueous Mizoroki-Heck reactions.

  DOI：

  10.1021/om500140g
• 作为产物：
  描述：

  1-(3-bromopropyl)-3-benzylbenzimidazolium bromide 、 potassium thioacetate 以 乙腈 为溶剂， 以70%的产率得到
  参考文献：
  名称：

  Template-Directed Synthesis of Palladium(II) Sulfonate-NHC Complexes and Catalytic Studies in Aqueous Mizoroki–Heck Reactions

  摘要：

  Oxidation of easily accessible thiolato-functionalized dinuclear Pd(II) NHC complexes 1-3 by Oxone gave rise to sulfonate-NHC complexes 4-6. This represents the first template-directed approach to NHC complexes bearing sulfonate functions, where the sulfur atoms undergo a six-electron oxidation, changing their oxidation states from -II to +IV. The catalytic activities of water-soluble 4-6 were also tested in aqueous Mizoroki-Heck reactions.

  DOI：

  10.1021/om500140g

文献信息

• Dinuclear Nickel Complexes of Thiolate-Functionalized Carbene Ligands and Their Electrochemical Properties
  作者：Siyuan Luo、Maxime A. Siegler、Elisabeth Bouwman

  DOI：10.1021/acs.organomet.7b00576

  日期：2018.3.12

  groups complete the coordination spheres of the nickel ions. The electrochemical properties of the four complexes were studied using cyclic voltammetry and controlled-potential coulometry methods. The thiolate-functionalized carbene complexes [1] and [2] appear to be poor electrocatalysts for the hydrogen evolution reaction; the complexes [3]Br2 and [4]Br2, bearing an extra pyridylmethyl group, show higher

  四种二聚镍（II）配合物[Ni2Cl2（BnC2S）2] [1]，[Ni2Cl2（BnC3S）2] [2]，[Ni2（PyC2S）2] Br2 [3] Br2和[Ni2（PyC3S）2]合成了四种不同硫醇酸酯官能化的N-杂环卡宾（NHC）配体的Br2 [4] Br2，并通过单晶X射线晶体学确定了它们的结构。四个配体的不同之处在于硫醇盐基团与苯并咪唑氮原子（两个-C2-或三个-C3-碳原子）之间的烷基链长，而在NHC上的第二个官能团是苄基（Bn）或吡啶基甲基（Py）基团。镍（II）离子与NHC碳原子和侧基硫醇盐基团配位，后者与第二个镍（II）离子桥接形成双核结构。此外，在化合物[1]和[2]中，方平面Ni（II）中心的第四个配位位置被卤离子占据，而在[3] 2+和[4] 2+中，额外的吡啶甲基侧基完成了镍离子的配位球。使用循环伏安法和控制电位库仑法研究了四种配合物的电化学性质。硫醇盐官能化的