bis(pyridine-2-thiolato) palladium(II) bis-triphenylphosphine | 86431-35-8

• 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: bis(pyridine-2-thiolato) palladium(II) bis-triphenylphosphine
• 英文别名: palladium(2+);pyridine-2-thiolate;triphenylphosphane
• CAS: 86431-35-8
• 化学式: C₄₆H₃₈N₂P₂PdS₂
• 分子量: 851.321
• InChiKey: FTEYUBWDTLDKBK-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  8.86
• 重原子数：
  53
• 可旋转键数：
  8
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  27.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  bis(pyridine-2-thiolato) palladium(II) bis-triphenylphosphine 生成 三苯基膦
  参考文献：
  名称：

  DAVIDSON, J. L.;PRESTON, P. N.;RUSSO, M. V., J. CHEM. SOC. DALTON TRANS., 1983, N 4, 783-786

  摘要：

  DOI：
• 作为产物：
  描述：

  双三苯基磷二氯化钯 、 thallium salt of 2-mercaptopyridine 以76%的产率得到
  参考文献：
  名称：

  DAVIDSON, J. L.;PRESTON, P. N.;RUSSO, M. V., J. CHEM. SOC. DALTON TRANS., 1983, N 4, 783-786

  摘要：

  DOI：

文献信息

• Synthesis and solution behavior of mononuclear palladium(II) and platinum(II) complexes containing pyridine-2-thiolate as a ligand. Crystal structure of chloro(pyridine-2-thiolato)- (triphenylphosphine)palladium(II)
  作者：Yuji Nakatsu、Yukio Nakamura、Keiji Matsumoto、Shun'ichiro Ooi

  DOI：10.1016/s0020-1693(00)82963-1

  日期：1992.6

  (pyS) complexes [M(pyS)2(PPh3)2], [MCl(pyS)(PPh3)], [M(pyS)2(PPh3)] (M=Pd(II), Pt(II)) and [PdCl(pyS)(PPh3)2]·CH2Cl2, and the complex of pyridine-2-thiol [PdCl2(pySH)(PPh3)] have been prepared. The solution behavior of these complexes has been examined by 1H and 31P1H} NMR measurements as well as the determination of the molecular weights. The coordination modes of the pyS ligand in the complexes, including

  摘要各种类型的单核吡啶-2-硫代吡咯（pyS）配合物[M（pyS）2（PPh3）2]，[MCl（pyS）（PPh3）]，[M（pyS）2（PPh3）]（M = Pd制备了（II），Pt（II））和[PdCl（pyS）（PPh 3）2]·CH 2 Cl 2和吡啶-2-硫醇的配合物[PdCl 2（pySH）（PPh 3）]。这些配合物的溶液行为已通过1H和31P 1H} NMR测量以及分子量的测定进行了检查。阐明了复合物中pyS配体的配位方式，包括螯合，S-不相同以及它们之间的快速交换。已确定[PdCl（pyS）（PPh3）]的晶体结构。复合物在三斜空间群P1中结晶，Z = 2，a = 12.969（6），b = 10.246（5），c = 9.493（3）A，α= 114.53（3），β= 72.57（3）， γ= 105.71（3）°。结构已使用常规重原子方法确定，最终Rw = 0。基于
• Synthesis, crystal structures and, antibacterial and antiproliferative activities in vitro of palladium(II) complexes of triphenylphosphine and thioamides
  作者：Shafqat Nadeem、Michael Bolte、Saeed Ahmad、Tahira Fazeelat、Syed Ahmed Tirmizi、Muhammad Khawar Rauf、Samina A. Sattar、Sadia Siddiq、Abdul Hameed、Syed Zeeshan Haider

  DOI：10.1016/j.ica.2010.06.015

  日期：2010.10

  Palladium(II) complexes with triphenylphosphine (PPh3) and thioamides of the general formulae, [Pd(L)(2)(PPh3)(2)] Cl-2 and [Pd(L)(2)(PPh3)(2)] have been prepared and characterized by elemental analysis, IR and NMR (H-1, C-13 and P-31) methods, and two of them (trans-[Pd(PPh3)(2)(Dmtu)(2)]Cl-2 center dot(H2O)(CH3OH)(0.5) (1) and trans-[Pd(PPh3)(2)(Mpy)(2)] (2)) by X-ray crystallography; where L = thiourea (Tu), methylthiourea (Metu), N,N'-dimethylthiourea (Dmtu), tetramethylthiourea (Tmtu), 2-mercaptopyridine (Mpy), 2-mercaptopyrimidine (Mpm) and thionicotinamide (Tna). The spectral data of the complexes are consistent with the sulfur coordination of thioamides to palladium(II). The crystal structures of the complexes show that (1) has ionic character consisting of [Pd(PPh3)(2)(Dmtu)(2)](+2) cations and uncoordinated Cl- ions, while (2) is a neutral complex with Mpy behaving as anionic thiolate ligand. The coordination environment around palladium in (2) is nearly regular square-planar, while in (1) the trans angles show significant distortions from 180 degrees. The complexes were screened for antibacterial effects, brine shrimps lethality bioassay and antitumor activity. These complexes showed significant activities in most of the cases against the tested bacteria as compared to that of a standard drug. Their antitumor activity against prostate cancer cells (PC3) is comparable with doxorubicin, together with no cytotoxic effects in brine shrimps lethality bioassay study. (C) 2010 Elsevier B.V. All rights reserved.
• Lobana, Tarlok S.; Verma, Renu, Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 1999, vol. 38, # 6, p. 592 - 595
  作者：Lobana, Tarlok S.、Verma, Renu

  DOI：——

  日期：——