[Pd(py(SCHC(O)Me)-2)(NCMe)2]ClO4 | 235084-44-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: [Pd(py(SCHC(O)Me)-2)(NCMe)2]ClO4
• CAS: 235084-44-3
• 化学式: C₁₂H₁₄N₃OPdS*ClO₄
• 分子量: 454.199
• InChiKey: PSMUHRGUSYICGR-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  cis-[Pd(py(SCHC(O)Me)-2)2] 以 丙酮 、 乙腈 为溶剂， 生成 [Pd(py(SCHC(O)Me)-2)(NCMe)2]ClO4
  参考文献：
  名称：

  Multidonor Ligands. 3. Cyclopalladation of py{SCH₂C(O)R}-2 (py-2 = 2-pyridyl, R = Ph, Me, OMe) through a C(sp³)−H Bond Activation

  摘要：

  [PdCl2(NCPh)(2)] reacts with R-carbonylmethylenethiopyridines [py{SCH2C(O)R}-2] to give, depending on the substituent R and the reaction conditions, [Pd{py{SCHC(O)Ph}-2}(mu-Cl)(2)Pd-{py{SCH2C(O)Ph}-2}Cl] or the coordination complexes [Pd{py{SCH2C(O)R}-2}(2)Cl-2] (R = Ph, Me, OMe). The latter can be doubly deprotonated by a base (Na2CO3 or NaH) to give dicyclometalated complexes cis-[Pd{py{SCHC(O)R}-2}(2)]. These transmetalate one ligand to [PdCl2(NCPh)(2)] to give [Pd{py(SCHC(O)R}-2}(mu-Cl)](2), which in turn reacts with (Me4N)Cl or with monodentate ligands L or with MeCN in the presence of AgClO4 to give anionic Me4N[Pd{py{SCHC(O)Ph}-2}Cl-2], neutral [Pd{py(SCHC(O)R}-2}Cl(L)] [R = Ph, L = PPh3, py{SCH2C(O)Ph}-2, (BuNC)-Bu-t, NH2CH(Me)Ph, pyridine (py), tetrahydrothiophene (tht); R= Me, L = PPh3, py, tht], or cationic [Pd{py{SCHC(O)R}-2}(NCMe)(2)]ClO4 (R = Ph, Me, OMe) complexes, respectively. The latter react with PPh3 or with bidentate ligands to give complexes [Pd{py{SCHC(O)Ph}-2}(NCMe)(PPh3)]ClO4 or [Pd(py{SCHC(O)Ph}-2}L-2]ClO4 [L = PPh3, L-2 = N,N,N',N'-tetramethylethylenediamine (tmeda) or 2,2'-bipyridine (bipy)]. The crystal structures of [Pd{py{SCHC(O)R}-2}(2)] and [Pd{py{SCHC(O)R}-2}Cl{py{SCH2C(O)R}2}] have been determined.

  DOI：

  10.1021/om981043f