bis(diethyldithiophosphato)platinum(II) | 37583-01-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机二硫代磷酸及其衍生物
• 英文名称: bis(diethyldithiophosphato)platinum(II)
• 英文别名: bis(O,O'-diethyldithiophosphate)platinum(II)；platinum(II) bis(O,O'-diethyl dithiophosphate)；bis(O,O'-diethyldithiophosphato-S,S')platinum(II)；[Pt(S2P(OC2H5)2)2]；bis(O,O'-diethyldithiophosphato)platinum(II)；Diethoxy-sulfanylidene-sulfido-lambda5-phosphane;platinum(2+)；diethoxy-sulfanylidene-sulfido-λ5-phosphane;platinum(2+)
• CAS: 37583-01-0
• 化学式: C₈H₂₀O₄P₂PtS₄
• 分子量: 565.536
• InChiKey: BENMFXGQPFPQBC-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  3.66
• 重原子数：
  19
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  103
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  bis(diethyldithiophosphato)platinum(II) 、 二苯基甲氧基膦 以 二氯甲烷 为溶剂， 以74%的产率得到ethoxy-oxido-sulfanylidene-sulfido-λ5-phosphane;methoxy(diphenyl)phosphane;platinum(2+)
  参考文献：
  名称：

  Platinum(II) complexes with dithiolates and phosphinites as ligands: crystal structure of [Pt{S2CO}{P(OMe)Ph2}2]

  摘要：

  Reaction of the complex [PtCl{P(O)Ph(2)} {P(OH)Ph(2)}(2)] with silver or thallium derivatives of dithiolate ligands led to neutral complexes of general formula [Pt{S-S} {P(O)Ph(2)} {P(OH)Ph(2)}], where {S-S}(-) ={S(2)CNEt(2)}(-) (1), {S2P(OEt)2}(-) (2) and {S(2)COEt}(-) (3). Complexes 2 and 3 reacted with an excess of NaI in acetone solution by dealkylation of the coordinated dithiolate ligand and formation of the compounds [Pt{S2P(O) (OEt)} {P(O)Ph(2)} {P(OH)Ph(2)}] Na (4) and [Pt{S2CO}{P(O)Ph(2)}{P(OH)Ph(2)}] Na (5), respectively. The corresponding tetraphenylphosphonium derivatives (6, 7) were prepared by a metathetical reaction of these complexes with Ph(4)PBr in acetone solution. Related dithiolate complexes were obtained by reaction of the complex [Pt{S-S}(2)] with P(OMe)Ph(2) in molar ratio 1:2. Thus, the reaction of [Pt{S(2)COEt}(2)] in dichloromethane solution at room temperature gave [Pt{S(2)COEt} {P(OMe)Ph(2)}(2)] Cl (8). This complex reacted with NaI in acetone to form the neutral compound [Pt{S2CO} {P(OMe)Ph(2)}(2)] (9). When the reaction was carried out in dichloromethane at reflux temperature using [Pt{S2P(OEt)(2)}(2)] as starting material, the neutral compound [Pt{S2P(O)(OEt)} {P(OMe)Ph(2)}(2)] (10) was obtained. The crystal structure of the complex 9 has been determined by X-ray diffraction. The neutral complex shows a nearly square-planar coordination of the metal and a planar dithiocarbonate ligand.

  DOI：

  10.1016/0277-5387(95)00261-p
• 作为产物：
  描述：

  硫代过氧二磷酸四乙酯 、 铂 以 苯乙烯 为溶剂， 反应 0.33h， 以100%的产率得到bis(diethyldithiophosphato)platinum(II)
  参考文献：
  名称：

  [EN] DITHIOPHOSPHATO-PLATINUM-COMPLEXES FOR THE TREATMENT OF CANCERS
  [FR] COMPLEXES DE DITHIOPHOSPHATO-PLATINE DESTINES AU TRAITEMENT DE CANCERS

  摘要：

  公式组合：(I)、(II)或(III)：哪一个适合用于肿瘤治疗。

  公开号：

  WO2005095425A1

文献信息

• Experimental and First-Principles NMR Analysis of Pt(II) Complexes With <i>O</i>,<i>O</i>′-Dialkyldithiophosphate Ligands
  作者：Juho Roukala、Simon T. Orr、John V. Hanna、Juha Vaara、Alexander V. Ivanov、Oleg N. Antzutkin、Perttu Lantto

  DOI：10.1021/acs.jpca.6b09586

  日期：2016.10.27

  Polycrystalline bis(dialkyldithiophosphato)Pt(II) complexes of the form [PtS2P(OR)2}2] (R = ethyl, iso-propyl, iso-butyl, sec-butyl or cyclo-hexyl group) were studied using solid-state 31P and 195Pt NMR spectroscopy, to determine the influence of R to the structure of the central chromophore. The measured anisotropic chemical shift (CS) parameters for 31P and 195Pt afford more detailed chemical and

  多晶双（dialkyldithiophosphato）合铂（II）形式的配合物[铂S 2 P（OR）2 } 2 ]（R =乙基，异丙丙基，异丁基，仲丁基叔丁基或环己基组）进行了研究使用固态31 P和195 Pt NMR光谱确定R对中心发色团结构的影响。与各向同性CS和J相比，所测量的31 P和195 Pt的各向异性化学位移（CS）参数提供了更详细的化学和结构信息单独的联轴器。在混合DFT级别上的高级理论建模，包括晶格和重要的相对论自旋轨道效应，都在质量上重现了所测得的CS张量，支持了实验分析并提供了广泛的定向信息。采用了一种针对不可忽略的晶格效应的校正模型，该模型可避免由于对伪电位质量的高要求而导致195 Pt各向异性参数的严重劣化。尽管在195个具有不同取代基R的Pt CS张量之间发现的差异可以忽略不计，但31个复合物之间的P CS参数存在显着差异，这意味着有可能在它们之间进行区分。提
• Platinum(II) O,O-alkylene dithiophosphates and their adducts
  作者：C.P. Bhasin、G. Srivastava、R.C. Mehrotra

  DOI：10.1016/s0020-1693(00)96024-9

  日期：1987.8

  dithiophosphate derivatives of the general formula (where G(OH) 2 = 2,3-dimethylbutane-2,3-diol; butane-2,3-diol; 2-methylpentane-2,4-diol) have been synthesized by treatment of potassium chloroplatinate(II) with ammonium alkylene dithiophosphate in 1:2 molar ratios. IR, NMR ( 1 H and 31 P) and electronic spectra along with magnetic data indicate a four-coordinated planar geometry for these derivatives similar

  通式（其中G（OH）2 = 2,3-二甲基丁烷-2,3-二醇;丁烷-2,3-二醇; 2-甲基戊烷-2,4-二醇）的通式O，O-亚烷基二硫代磷酸酯衍生物通过用亚烷基二硫代磷酸铵以1：2的摩尔比处理氯铂酸钾（II）合成。IR，NMR（1 H和31 P）和电子光谱以及磁数据表明，这些衍生物的四配位平面几何形状类似于铂（II）的类似二烷基二硫代磷酸酯所报道的几何形状。利用三苯基膦/-基等配体，上述衍生物形成有色（黄色至棕色）1：1固体加合物，可溶于卤化碳（CHCl 3和CH 2 Cl 2）。
• Multinuclear (31P, 195Pt) magnetic resonance and electrospray mass spectrometric studies of the reactions between platinum bis(dithiolates) and two potentially tetradentate phosphine ligands
  作者：Ray Colton、John C. Traeger、Vanda Tedesco

  DOI：10.1016/s0020-1693(00)83327-7

  日期：1993.8

  Abstract The reactions of platinum(II) bis(dithiolates) Pt(SS)2 ((SS)=S2P(OEt)2 (dtp), S2COnPr (xan), S2CNEt2 (dtc)) with two potentially tetradentate phosphine ligands have been investigated by multinuclear magnetic resonance spectroscopy and electrospray mass spectrometry (ESMS). The phosphines used were P(CH2CH2PPh2)3 (P3P′) and Ph2PCH2CH2P(Ph)CH2CH2P(Ph)CH2CH2PPh2 (P2P′2). 31P and 195Pt NMR spectroscopies

  摘要双（二硫代铂）铂（II）Pt（SS）2（（SS）= S2P（OEt）2（dtp），S2COnPr（xan），S2CNEt2（dtc））与两个潜在的四齿膦反应配体已经通过多核磁共振波谱和电喷雾质谱（ESMS）进行了研究。使用的膦是P（CH2CH2PPh2）3（P3P'）和Ph2PCH2CH2P（Ph）CH2CH2P（Ph）CH2CH2PPh2（P2P'2）。31P和195Pt NMR谱图表明P3P'在二氯甲烷溶液中与Pt（dtp）2和Pt（xan）2反应生成五坐标[[η4-P3P'）Pt（η1-SS）] +和Pt （dtc）2给出[（η4-P3P'）Pt（η1-dtc）] +和[（η3-P3P'）Pt（η2-dtc）] +的温度相关混合物。通过直接从溶液中观察ES质谱中的完整离子，可以确认所有这些配方。[（η4-P3P'）Pt（η1-xan）] +与游离的xan离子缓慢反应，生成二
• Crystalline O,O′-di-sec-butyl and O,O′-diethyl dithiophosphate platinum(II) complexes: Synthesis, 13C and 31P CP/MAS NMR, single crystal X-ray diffraction studies and thermal behaviour
  作者：Tatyana A. Rodina、Alexander V. Ivanov、Andrey V. Gerasimenko、Irina A. Lutsenko、Maxim A. Ivanov、John V. Hanna、Oleg N. Antzutkin、Valentin I. Sergienko

  DOI：10.1016/j.poly.2011.05.050

  日期：2011.8

  same S,S′-bidentate chelating structural function and form two planar four-membered chelate rings, [PtS2P], in this molecule. The planar configuration of the [PtS4] chromophore in structure 1 is governed by the dsp2-hybrid state of platinum(II). The structural states of the dithiophosphate groups in two different samples of complex 1 (one crystallised from ethanol and the other one precipitated from

  摘要制备了双（O，O'-二仲丁基二硫代磷酸根）铂（II），并通过13C，31P CP / MAS NMR光谱和单晶X射线衍射进行了研究。铂（II）化合物的晶胞由一个中心对称单核分子[Pt S2P（O-sec-C4H9）2} 2]组成，其中二硫代磷酸酯基团在31P NMR和XRD数据中均显示结构等效。一对二硫代磷酸酯配体在该分子中具有相同的S，S'-双齿螯合结构功能，并形成两个平面的四元螯合环[PtS2P]。结构1中[PtS4]发色团的平面构型受铂（II）的dsp2-杂合态控制。配合物1的两个不同样品（一个是从乙醇中结晶，另一个是从水溶液中沉淀）中二硫代磷酸酯基团的结构状态均由几乎菱形的31P化学位移张量表征。观察到的31P NMR化学位移的基本分散是由分子1的六个光学异构体的共存引起的。通过在氩气气氛下同时进行热分析（TG和DSC的组合）研究了该化合物的热行为。热行为表明1的质量在三个步
• Synthesis and characterization of liquid platinum compounds
  作者：Michel Gianini、Walter R. Caseri、Volker Gramlich、Ulrich W. Suter

  DOI：10.1016/s0020-1693(99)00499-5

  日期：2000.3

  Liquid platinum complexes were obtained with a ligand with alkyl chains that attach to the coordination plane perpendicularly and herewith render a close packing of the molecules difficult for certain chain lengths. Bis(O, O'-dialkyldithiophosphato)platinum(II) complexes, Pt(C(x)dtp)(2) where the alkyl chains are methyl (x = 1), ethyl (x = 2), propyl (x = 3), butyl (x = 4), pentyl (x = 5), hexyl (x = 6), heptyl (x = 7), dodecyl (x = 12), and octadecyl (x = 18), were investigated. The platinum compounds were synthesized via two routes: reaction of tetrachloroplatinate(IT) with ammonium-O,O'-dialkyldithiophosphates or oxidative addition of (O,O'-dialkylthiophosphoryl)disulfides to tris(styrene)platinum(0). The melting temperatures as a function of the alkyl chain length show a minimum for the complex with pentyl groups. The complexes with pentyl and hexyl groups are liquid at room temperature, and the complexes with butyl and heptyl groups melt only slightly above room temperature. Depending on the complex, the low melting temperatures are induced by an unfavorable packing of the molecules in the solid state, reflected in a low melting enthalpy, or melting entropy. The molecular weights of the liquid complexes are between 700 and 800 and, therefore, extraordinarily high for liquid metal compounds. Depending on the alkyl groups, the complexes decompose at 172-241 degrees C. Crystals of bis(O,O'-diethyldithiophosphato)platinum(II), Pt(C(2)dtp)(2), are monoclinic, space group P2(1)/n, a = 8.90, b = 8.70, c = 12.45 Angstrom, alpha = gamma = 90 degrees, beta = 100.89 degrees, and Z = 4. (C) 2000 Elsevier Science S.A. All rights reserved.