Ru(η2-C6H2O-2-CHNHC6H4OMe(p)-3-Me-5)(PPh3)2(CO)Cl | 444017-92-9

• 英文名称: Ru(η2-C6H2O-2-CHNHC6H4OMe(p)-3-Me-5)(PPh3)2(CO)Cl
• CAS: 444017-92-9；188547-18-4
• 化学式: C₅₂H₄₄ClNO₃P₂Ru
• 分子量: 929.397
• InChiKey: FKBLBRWSFQDPEB-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 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：

  Ru(η2-C6H2O-2-CHNHC6H4OMe(p)-3-Me-5)(PPh3)2(CO)Cl 、 一氧化碳 以 二氯甲烷 为溶剂， 以92%的产率得到
  参考文献：
  名称：

  具有正金属化酚功能的四元钌和金属环的羰基化：新的酰基钌和芳基complex络合物

  摘要：

  在一个大气压下，Ru（QL 1）（PPh 3）2（CO）Cl（3）和Os（QL 1）（PPh 3）2（CO）Br（4）与一氧化碳的溶液反应分别得到橙色酰基钌体系Ru（QL 2）（PPh 3）2（CO）Cl（5）和黄色芳基二羰基芳烃Os（QL 3）（PPh 3）2（CO）2 Br（6），产率极高。（QL 1是C 6 H 2 O-2-CHNHC6 H 4 Q（p）-3-Me-5，QL 2为C 6 H 2（CO-1）O-2-CHNHC 6 H 4 Q（p）-3-Me-5和QL 3为C 6 H 2 OH-2-CHNC 6 H 4 Q（p）-3-Me-5并且Q为Me，OMe和Cl。）建议在3的情况下，形成类似于6的二羰基配合物作为中间体迅速经历芳基迁移并伴随酚配位提供5。6的稳定性这与in促进迁移反应的能力大大降低是一致的。在反应4  →  6中，Os–O（苯酚基）键被裂解，席夫碱部分经历亚胺基-苯

  DOI：

  10.1016/j.jorganchem.2005.04.012
• 作为产物：
  描述：

  tris(triphenylphosphine)ruthenium(II) chloride 、 2-formyl-4-methyl-6-((p-methoxyphenylimino)methyl)phenol 以 乙醇 为溶剂， 以80%的产率得到Ru(η2-C6H2O-2-CHNHC6H4OMe(p)-3-Me-5)(PPh3)2(CO)Cl
  参考文献：
  名称：

  A four-membered C,O-chelate: two families of ruthenium organometalics incorporating N…O hydrogen bonding

  摘要：

  The reaction of mono-Schiff bases of 4-methyl-2,6-diformylphenol and primary amines (p-XC(6)H(4)NH(2), X = OMe, Cl, CO(2)Et and NO2) with Ru(PPh(3))(3)Cl-2 in boiling ethanol afforded violet diamagnetic complexes, [Ru(eta(2)-p-XC(6)H(4)L)(PPh(3))(2)(CO)Cl] (eta(2)-p-XC(6)H(4)L = [4-methyl-6-(N-p-Xphenyliminiomethyl) phenolato-C-2,O] incorporating the unprecedented orthoruthenated phenolate function, which is hydrogen-bonded with the uncoordinated imine nitrogen. These complexes were found to react with sodium benzoates (p-ZC(6)H(4)COO, Z = Me, Cl) to generate the new aryl complexes of ruthenium, [Ru(eta(1)-p-XC(6)H(4)L)(PPh(3))(2)(CO)(eta(2)-p-ZC(6)H(4)COO)]. The spectral (IR, UV-vis and H-1 NMR) features of these two types of complexes and the effect of the X substituent on electronic and H-1 NMR spectra are scrutinized. The effect of PPh(3) ring currents on the chemical shifts of the metallated ring protons is semiquantitatively estimated. In these complexes different types of novel intramolecular N...O interaction and the conformational orientation of p-XC(6)H(4)L ligands are noted. The redox behaviour of these complexes is reported. The E(1/2) values of Ru-III/Ru-II couple correlate linearly with the Hammett constants (sigma) of X substituent in the halo complexes. A spectro-electrochemical correlation in these complexes is also observed. Copyright (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0277-5387(96)00390-7

文献信息

• Spectroscopic, structural, electrochemical, and cytotoxicity studies on dithiocarbamato-chelated ruthenium organometallics incorporating imine-phenol function
  作者：Mrinal Kanti Ghosh、Suman Mandal、Sudip Mohapatra、Annesha Chatterjee、Arindam Bhattacharyya、Swarup Chattopadhyay

  DOI：10.1080/00958972.2018.1550256

  日期：2019.1.2

  structure of [Ru(η1-ClL)(PPh3)2(CO)(EtDTC)] (2(Cl)(EtDTC)) has been described here. An account of different spectral (UV–Vis, IR, NMR) and electrochemical data of the complexes are also asserted. Density functional theory (DFT) and time-dependent density functional theory (TD-DFT) analyses were performed to scrutinize the electronic structure and the absorption spectra of the complexes. One of the dithiocarbamato

  摘要 [Ru(η2-RL)(PPh3)2(CO)Cl] (1) 与二硫代氨基甲酸二甲酯 (MeDTC)、二硫代氨基甲酸二乙酯 (EtDTC) 和吡咯烷二硫代氨基甲酸酯 (PyrDTC) 配体的钠盐的多相反应用于分离 [Ru(η1-RL)(PPh3)2(CO)(R'DTC)] (2(R)(R'DTC)) 类型的亮黄色结晶固体，其中 η2-RL 是 C6H2O-2 -CHNHC6H4R(p)-3-Me-5，η1-RL 为 H-2-CHNC6H4R(p)-3-Me-5，R 为 Me、OMe、Cl，且 R' = Me、Et、Pyr。二硫代氨基甲酸酯配体的结合伴随着 Ru-O 和 Ru-Cl 键的解离，伴随着从亚胺-苯酚基团到亚胺-苯酚基序的质子转移。该反应还涉及到产品的旋转构象的空间控制变化。[Ru(η1-ClL)(PPh3)2(CO)(EtDTC)] (2(Cl)(EtDTC)) 的 X
• Pyridine-2-olato chelated ruthenium(II) organometallics incorporating imine-phenol function: spectroscopic, structural, electrochemical, and theoretical studies
  作者：Anikul Islam、Mrinal Kanti Ghosh、Suman Mondal、Paula Brandão、Swarup Chattopadhyay

  DOI：10.1080/00958972.2018.1550578

  日期：2019.1.2

  Abstract The heterogeneous phase reaction of excess sodium salt of 2-hydroxypyridine (OHpy) with [Ru(κ2C,O-RL)(PPh3)2(CO)Cl] (1) afforded complexes of the type [Ru(κ1C-RL)(PPh3)2(CO)(Opy)] (2) in excellent yield [κ2C,O-RL is 4-methyl-6-((N-R-arylimino)methyl)phenolato-C2,O), κ1C-RL is 4-methyl-6-((N-R-arylimino)methyl)phenol-C2) and R is H, Me, OMe, Cl]. The chelation of Opy is attended with the cleavage

  摘要 过量的 2-羟基吡啶 (OHpy) 钠盐与 [Ru(κ2C,O-RL)(PPh3)2(CO)Cl] (1) 的多相反应得到 [Ru(κ1C-RL) (PPh3)2(CO)(Opy)] (2) 以极好的收率 [κ2C,O-RL 是 4-methyl-6-((NR-arylimino)methyl)phenolato-C2,O), κ1C-RL 是 4 -甲基-6-((NR-芳基亚氨基)甲基)苯酚-C2)并且R是H、Me、OMe、Cl]。Opy的螯合伴随着Ru-O和Ru-Cl键的断裂和亚胺-苯酚→亚胺-苯酚的质子位移。1→2 转化是不可逆的，2 类物质在热力学上比 1 的乙酸盐、亚硝酸盐和硝酸盐配合物更稳定。报告了配合物的光谱（UV-vis、IR、NMR）和电化学数据。在二氯甲烷溶液中，配合物显示出一种准可逆的 RuIII/RuII 循环伏安响应，E1/2 范围为 0。65–0.69 V
• Chemistry of a new family of aryl ruthenium species incorporating α-diimine chelation and a pendant imine-phenol function
  作者：Bikash Kumar Panda、Kaushik Ghosh、Swarup Chattopadhyay、Animesh Chakravorty

  DOI：10.1016/s0022-328x(03)00211-0

  日期：2003.5

  The reaction of excess 2,2′-bipyridine (bpy) and 1,10-phenanthroline (phen) with Ru(η2-RL)(PPh3)2(CO)Cl (1) has respectively furnished [Ru(η1-RL)(PPh3)2(CO)(bpy)](PF6) (2) and [Ru(η1-RL)(PPh3)2(CO)(phen)](PF6) (3) in very good yield (η2-RL is C6H2O-2-CHNHC6H4R(p)-3-Me-5, η1-RL is C6H2OH-2-CHNC6H4R(p)-3-Me-5 and R is H, Me, MeO, Cl). The chelation of bpy/phen is attended with the cleavage of RuO and

  的过量2,2'-联吡啶（BPY）和1,10-菲咯啉（phen）与钌（η反应2 -RL）（PPH 3）2（CO）Cl（上1）已分别提供的[Ru（η 1 -RL）（PPH 3）2（CO）（联吡啶）]（PF 6）（2）和的[Ru（η 1 -RL）（PPH 3）2（CO）（苯）]（PF 6）（3）在非常好的产率（η 2 -RL是C 6 H ^ 2 O-2-CHNHC 6 ħ 4 R（p）-3-ME-5，η 1个-RL是C 6H 2 OH-2-CHNC 6 H 4 R（p）-3-Me-5且R为H，Me，MeO，Cl。bpy / phen的螯合伴随RuO和RuCl键的裂解以及亚胺基苯酚基→亚胺基苯酚的质子转移。一氧化碳配位体位于顺式到酚氧在2和3相反在1。的晶体和分子结构的[Ru（η 1 -HL）（PPH 3）2（CO）（联吡啶）]（PF 6）·CH 2氯2（2（H）·CH 2氯2）和[茹（η 1
• Synthesis, Structure, and Properties of Biimidazole‐Chelated Arylruthenium Complexes
  作者：Bikash Kumar Panda、Suman Sengupta、Animesh Chakravorty

  DOI：10.1002/ejic.200300293

  日期：2004.1

  molecular structure of [Ru(η1-MeL)(PPh3)2(CO)(dmbi)](PF6)·CH2Cl2 is reported. For steric reasons the carbon monoxide ligand is located syn to the phenolic oxygen atom as opposed to anti in the precursor 1. In the hydrogen bonded imine-phenol function the O−H, H···N, and N···O distances are 0.83(8), 1.77(8), and 2.552(6) A, respectively, the O−H···N angle being 156(2)°. The Ru(dmbi) chelate along with

  通过使 Ru(η2-RL)(PPh3)2(CO)Cl (1) 与过量的 4,5-二甲基-2,2'-联咪唑 (dmbi) 反应，[Ru(η1-RL)(PPh3 )2(CO)(dmbi)](PF6) (2) 已以优异的产率分离（η2-RL 为 C6H2O-2-CHNHC6H4R(p)-3-Me-5，η1-RL 为 H-2-CHNC6H4R (p)-3-Me-5 且 R 是 Me、OMe 和 Cl)。在这个过程中，dmbi 配体经历五元螯合，亚胺-苯酚官能团互变异构为亚胺-苯酚官能团，席夫碱围绕 Ru-C 键进行大旋转。报道了[Ru(η1-MeL)(PPh3)2(CO)(dmbi)](PF6)·CH2Cl2 的晶体和分子结构。由于空间位阻原因，一氧化碳配体位于酚氧原子的顺侧，而不是前体中的反侧 1. 在氢键亚胺-苯酚官能团中，O-H、H…N 和 N…O 距离分别为 0.83(8)、1.77(8)
• A series of ruthenium(II) organometallic complexes incorporating pyridine-2-carboxylato ligand: Detailed spectroscopic and computional studies
  作者：Anikul Islam、Mrinal Kanti Ghosh、Swarup Chattopadhyay

  DOI：10.1016/j.jics.2021.100048

  日期：2021.4