[(C6H3(CH2SPh)2-C,S,S')PdCl] | 180294-48-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: [(C6H3(CH2SPh)2-C,S,S')PdCl]
• 英文别名: 1,3-bis(phenylsulfanylmethyl)benzene-2-ide;chloropalladium(1+)
• CAS: 180294-48-8
• 化学式: C₂₀H₁₇ClPdS₂
• 分子量: 463.36
• InChiKey: QYWHKQIGWNIZNA-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  水 、 [(C6H3(CH2SPh)2-C,S,S')PdCl] 、 silver tetrafluoroborate 以 水 、 丙酮 为溶剂， 以94%的产率得到1-(aquapalladium)-2,6-bis[(phenylsulfido)methyl]benzene tetrafluoroborate
  参考文献：
  名称：

  Design and Performance of Rigid Nanosize Multimetallic Cartwheel Pincer Compounds as Lewis-Acid Catalysts

  摘要：

  Novel strategies for the preparation of rigid cartwheel pincer metal complexes have been developed. The aromatic backbone of these materials ensures a high rigidity, which is expected to be important for a high retention when these multimetallic nanosize complexes are applied as homogeneous catalysts in a nanomembrane reactor. The ligand precursors C-6[C6H3(CH2Y)(2)-3,5](6) (10, Y= NMe2; 11, Y = SPh; 12, Y = PPh2; 13, Y = pz = pyrazol-1-yl) have been prepared in high yields from the key intermediate C-6[C6H3(CH2Br)(2)-3,5](6) (9). The hexakis(pincer) palladium(II) complexes C-6[(PdX)-4-C2H2(CH2Y)(2)-3,5](6) (14, Y = SPh, L = Cl; 15, Y = PPh2, L = Cl; 16, Y = pyrazol-1-yl, L = OAc; 17, Y = pyrazol-1-yl, L = Cl) have been prepared via direct electrophilic palladation of the corresponding ligands. The (tris)pincer ligand C6H3 [Br-4-C6H3(CH2NMe2)(2)-3,5](3)-1,3,5 (20) was prepared via a triple-condensation reaction of 4-bromo-3,5-bis [(dimethylamino)methyl] acetophenone (19). Reaction of 20 with Pd(dba)(2) yielded the tripalladium complex C6H3[(PdBr)-4-C6H3(CH2NMe2)(2)-3,5](3)-1,3,5 (21). The crystal structure of 21 shows a propeller-like structure with D-3 symmetry and a fixed bromine-bromine distance of 17.4573(4) Angstrom, approximately forming a triangle with a height of 15.2 Angstrom. These nanosize cartwheel pincer metal complexes based on tridentate Y,C,Y ' pincer ligands have been used as homogeneous Lewis-acid catalysts. Moreover, the influence of the donor substituent Y on the catalytic activity of cationic mono-Y,C,Y ' Pd-II complexes as Lewis-acid catalysts in the double Michael reaction between methyl vinyl ketone and ethyl a-cyanoacetate, as a model reaction, has been investigated. It was found that cationic N,C,N ' -type pincer complexes (1a, Y = NMe2; 1b, Y = pz; 1c, Y = pz* = 3,5-dimethylpyrazol-1-yl; 23) were superior to the P,C,P '- and S,C,S'-pincer complexes (Id, Y = PPh2; le, Y = SPh). The nanosize cationic tri-N, C,N ' Pd-II complex 23 was found to have a catalytic activity per catalytic site in the double Michael reaction of the same order of magnitude as the monopincer analogue 1a (k = 279 x 10(-6) s(-1) for 1a vs k = 232 x 10(-6) s(-1) for 23). The combination of the nanosize dimensions, the catalytic activity, and the high thermal and air stability makes these complexes excellent candidates for application in a continuous process in a nanomembrane reactor.

  DOI：

  10.1021/om0101689
• 作为产物：
  描述：

  以 乙腈 为溶剂， 以86%的产率得到[(C6H3(CH2SPh)2-C,S,S')PdCl]
  参考文献：
  名称：

  含1,3-双（硫甲基）苯单元的配体的环钯和非环钯配合物的合成与表征

  摘要：

  [Pd（CH 3 CN）2）Cl 2对配体1,3-双（乙硫甲基）苯（HL 1），1,3-双（苄硫甲基）苯HL 2），1,3-双的反应性（苯硫基甲基）苯（HL 3）和2,2'-[1,3-亚苯基双（甲硫基）]-二苯甲酸二甲酯（HL 4）已被调查。在所有情况下，钯（II）盐与相应的配体在乙腈中在室温下反应，得到简单的非环钯配合物。这些配合物的分析和光谱数据表明，配体的两个硫原子和两个氯原子与钯离子定义的单体物种同时配位。配体HL 1 -HL 4的环palpalladated配合物已通过将其非环palpalated的衍生物在乙腈中重熔或起始原料在相同溶剂中在回流温度下的直接反应获得。已经发现取决于配体的不同反应时间。配体HL 1，HL 2和HL的环钯配合物通过X射线衍射法表征了图4。它们都在由1，3-双（硫甲基）苯单元的刚性S 2 C螯合部分和相对于Pd 3处于反式位置的氯原子提供的钯原子周围表现出方平面配位。

  DOI：

  10.1016/0277-5387(96)00005-8
• 作为试剂：
  描述：

  六甲基二锡 、 肉桂基氯 在 [(C6H3(CH2SPh)2-C,S,S')PdCl] 作用下， 以 四氢呋喃 为溶剂， 生成 cinnamyltrimethylstannane
  参考文献：
  名称：

  SCS-pincer palladium-catalyzed auto-tandem catalysis using dendritic catalysts in semi-permeable compartments

  摘要：

  新型单金属和树枝状SCS-钳状钯配合物2、3和4的合成收率良好（60-89%），纯度高（钯负载量>97%）。这些配合物成功用作肉桂酰氯与六甲基二锡的锡化反应催化剂，以及由锡化反应和4-硝基苯甲醛亲电加成反应组成的自动串联反应催化剂，所有配合物的反应速率和选择性相似。此外，树枝状配合物4还用于单反应和自动串联反应的分区催化，使催化剂能够连续使用四次。

  DOI：

  10.1039/c1dt10502g