[Ru(η⁶-p-cymene)Cl₂{P(OPh)₃}] | 112681-79-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: [Ru(η⁶-p-cymene)Cl₂{P(OPh)₃}]
• 英文别名: [(η⁶-p-cymene)RuCl₂P(OPh)₃]；[RuCl₂(η⁶-cymene){P(O-C₆H₅)₃}]；[RuCl2(η6-p-cymene)(P(OPh)3)]；[(η(6)-cymene)RuCl2(P(OPh)3)]；[(η(6).-cymene)RuCl2(triphenylphosphite)]；dichlororuthenium;1-methyl-4-propan-2-ylbenzene;triphenyl phosphite
• CAS: 112681-79-5
• 化学式: C₂₈H₂₉Cl₂O₃PRu
• 分子量: 616.486
• InChiKey: BJVGZXIDRLRNKO-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  9.95
• 重原子数：
  35.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  27.69
• 氢给体数：
  0.0
• 氢受体数：
  3.0

文献信息

• Electronic effects in mixed N-heterocyclic carbene/phosphite indenylidene ruthenium metathesis catalysts
  作者：Yannick D. Bidal、César A. Urbina-Blanco、Albert Poater、David B. Cordes、Alexandra M. Z. Slawin、Luigi Cavallo、Catherine S. J. Cazin

  DOI：10.1039/c9dt01811e

  日期：——

  SF5 and CN) were synthesised and used to study the effect of the electronic properties of the phosphite on olefin metathesis activity. Investigations of the physical properties of the new ligands and complexes were performed using physicochemical and DFT calculations. The catalytic activity of the complexes was benchmarked in challenging ring closing metathesis transformations featuring the formation

  合成并使用了五种新的配合物[RuCl 2（SIMes）（Ind）（O- p XC 5 H 4）]，它们带有不同的对位取代的亚磷酸三苯酯（X = H，OCH 3，CF 3，Cl，SF 5和CN）。研究亚磷酸酯的电子性质对烯烃复分解活性的影响。新的配体和配合物的物理性质的研究是使用理化和DFT计算进行的。配合物的催化活性以具有挑战性的闭环复分解转化为基准，该转化以形成四取代的双键为特征。络合物[RuCl 2（SIMes）（Ind）P（O- pCF 3 C 5 H 4）3 ]（3c）表现出特别高的催化活性，优于最先进的催化剂，并在各种基材上进行了进一步测试。
• Synthesis, characterisation and cytotoxicity studies of ruthenium arene complexes bearing trichlorogermyl ligands
  作者：Connor Deacon-Price、Dario Romano、Tina Riedel、Paul J. Dyson、Burgert Blom

  DOI：10.1016/j.ica.2018.09.019

  日期：2019.1

  sandwich ruthenium(II) trichlorogermyl complexes of the type [(η6-Arene)Ru(PR3)Cl(GeCl3)] (PR3 = Phosphane and phosphite ligands; Arene = p-cymene or C6H5-OC2H4OH) is reported: [(η6-p-cymene)Ru(P(OMe)3)Cl(GeCl3)] (1), [(η6-p-cymene)Ru(P(OPh)3)Cl(GeCl3)] (2), [(η6-p-cymene)Ru(PPh3)Cl(GeCl3)] (3), [(η6-p-cymene)Ru(pta)Cl(GeCl3)] (pta = 1,3,5-triaza-7-phosphaadamantane) (4) and [(η6-C6H5-OC2H4OH)Ru(pta)Cl(GeCl3)]

  摘要合成了五种[[η6-Arene] Ru（PR3）Cl（GeCl3）]（PR3 =磷和亚磷酸酯配体； Arene =对异丙基或C6H5-OC2H4OH）的半三明治钌（II）三氯锗烷基配合物。报告：[（η6-对-cymene）Ru（P（OMe）3）Cl（GeCl3）]（1），[（η6-对-cymene）Ru（P（OPh）3）Cl（GeCl3）]（2 ），[（η6-对-cymene）Ru（PPh3）Cl（GeCl3）]（3），[（η6-对-cymene）Ru（pta）Cl（GeCl3）]（pta = 1,3,5-triaza -7-磷金刚烷）（4）和[（η6- -OC2H4OH）Ru（pta）Cl（GeCl3）]（5）。η6-芳烃和膦配体的性质发生了变化，并且通过将GeCl2（来自GeCl2。（二恶烷））轻松插入各自易于接近的前体络合物[（η6-Arene）的Ru-Cl键中来制备配合物
• Five‐Membered Ruthenacycles: Ligand‐Assisted Alkyne Insertion into 1,3‐N,S‐Chelated Ruthenium Borate Species
  作者：Mohammad Zafar、Rongala Ramalakshmi、Kriti Pathak、Asif Ahmad、Thierry Roisnel、Sundargopal Ghosh

  DOI：10.1002/chem.201902663

  日期：2019.10.22

  -p-cymene)RuP(OMe)2 OR}Cl2 ], (R=H or Me) has been extended with [H2 B(mbz)2 ]- (mbz=2-mercaptobenzothiazolyl) using different Ru precursors and borate ligands. As a result, a series of 1,3-N,S-chelated ruthenium borate complexes, for example, [(κ2 -N,S-L)PR3 Ruκ3 -H,S,S'-H2 B(L)2 }], (2 a-d and 2 a'-d'; R=Ph, Cy, OMe or OPh and L=C5 H4 NS or C7 H4 NS2 ) and [Ruκ3 -H,S,S'-H2 B(L)2 }2 ], (3: L=C5

  在先前工作的基础上，[（η6-对-cymene）Ru P（OMe）2 OR} Cl2]，（R = H或Me）的化学性质已扩展为[H2 B（mbz）2]-（mbz ＝ 2-巯基苯并噻唑基）使用不同的Ru前体和硼酸盐配体。结果，产生了一系列1,3-N，S螯合的硼酸钌钌配合物，例如[（κ2-N，SL）PR3 Ru κ3-H，S，S'-H2 B（L）2} ]，（2 ad和2 a'-d'； R = Ph，Cy，OMe或OPh，L = C5 H4 NS或C7 H4 NS2）和[Ru κ3-H，S，S'-H2 B（L ）2} 2]，（3：L = C5 H4 NS，3'：L = C7 H4 NS2）经过[（η6-p-cymene）RuCl2 PR3]，1 ad（R = Ph，Cy，具有[H2 B（mp）2]-或[H2 B（mbz）2]-配体（mp = 2-巯基吡啶基）的OMe或OPh）。膦/亚磷酸酯
• Mercapto-benzothiazolyl based ruthenium(<scp>ii</scp>) borate complexes: synthesis and reactivity towards various phosphines
  作者：Mohammad Zafar、Ramalakshmi Rongala、Alaka Nanda Pradhan、Kriti Pathak、Thierry Roisnel、Jean-François Halet、Sundargopal Ghosh

  DOI：10.1039/c9dt00498j

  日期：——

  The synthesis and reactivity of ruthenium complexes containing an anionic boron based ligand, supported by mercapto-benzothiazolyl heterocycles are presented. Specifically, the reaction of [(η6-p-cymene)RuP(OMe)2OR}Cl2], (1a: R = Me; 1b: R = H) with [H2B(mbz)2]− (mbz = 2-mercaptobenzothiazolyl) at room temperature afforded a series of borate complexes, namely [(L)Ruκ3-H,S,S′-H2B(L)2}P(O)(OMe)(HL)]

  介绍了由巯基-苯并噻唑基杂环支撑的含阴离子硼基配体的钌配合物的合成和反应活性。具体而言，将反应[（η 6 - p -cymene）的Ru P（OME）2 OR}氯2 ]，（1A：R =甲基;图1b：R = H）与[H 2 B（甲苯咪唑）2 ] - （甲苯咪唑= 2- mercaptobenzothiazolyl）在得到的一系列硼酸盐配合物的室温，即[（L）的Ru κ 3 -H，S，S'-H 2 B（L）2 } P（O）（OME） （HL）]，2，[茹κ 3 -H，S，S'-H 2 B（L）2 }2 ]， 3和[（κ 2 - Ñ，小号-L）P（OME） 3钌κ 3 -H，S，S'-H 2 B（L） 2 }]， 4A ; （L ＝ C 7 H 4 NS 2）。的枢转特征2是钌中心与仲膦氧化物和巯基苯并噻唑基配位体的磷原子的协调。另一方面， 3具有[H 2 B（mbz） 2 ] -的Ru
• Synthesis and characterisation of [(η6-cymene)Ru(L)X2] compounds: single crystal X-ray structure of [(η6-cymene)Ru(P{OPh}3)Cl2] at 203 K
  作者：Emma Hodson、Stephen J. Simpson

  DOI：10.1016/j.poly.2004.06.016

  日期：2004.11

  Treatment of the chloro bridged dimer [(eta(6)-cymene)RuCl](2)(mu-Cl)(2)} (1) with the donor molecules P(OPh)(3), P(OMe)(3), PPh3, PMe3, CO, SMe2, (CNBu)-Bu-t and CNTos in hot hexane causes bridge splitting reactions that produce the monomeric compounds [(eta(6)-cymene)Ru(L)Cl-2], (4)-(11), respectively. Use of the chiral isonitrile S(-)-alpha-methylbenzylisonitrile produced the corresponding complex 12. The diiodo analogues, 13-15, were prepared similarly from [(eta(6)-cymene)RuI](2)(mu-I)(2)} (3) for P(OPh)(3), P(OMe)(3) and PPh3, respectively. Insertion of tin(II) chloride into both metal-chlorine bonds was observed for [(eta(6)-cymene)Ru(POMe}(3))Cl-2] (5), while only monosubstitution was observed for [(eta(6)-cymene)Ru(PPh3)Cl-2] (6). Halide abstraction in the presence of a substrate reaction has been used to prepare some selected cationic compounds which contain an asymmetric ligand environment. Reaction of [(eta(6)-cymene)RuCl](2)(mu-Cl)(2)} with 1,2-bis(diphenylphosphino)-ethane under ionising conditions produced the cation [(eta(6)-cymene)Ru(dppe)Cl]PF6 (20). Selected compounds have been examined by C-13-H-1} heteronuclear correlation and H-1-H-1} COSY and NOESY experiments. The structure of [(eta(6)-cymene)Ru(POPh}(3))Cl-2](CH2Cl2)-C-. (4) has been determined at -70degreesC. (C) 2004 Elsevier Ltd. All rights reserved.