| 130378-33-5

• CAS: 130378-33-5
• 化学式: C₅₂H₄₄ClNO₂P₂Ru
• 分子量: 913.397
• InChiKey: WQNIFTXMYRCMSC-MOAKDYRWSA-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：

  、 2-丙炔-1-醇 以 甲醇 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Alkyne Insertion into the Ru−C Bond of a Four-Membered Metallacycle. Insertion Rate and Reaction Pathway

  摘要：

  The insertion of HOCH2C drop CH (ha) into the Ru-C bond of Ru-II(RL1)(PPh3)(2)(CO)Cl, 1, has afforded Ru-II(RL3)(PPh3)(2)(CO)Cl, 3, which has been structurally characterized. Insertion rates in CH2Cl2-MeOH for ha as well as for PhC drop CH (pa), which inserts similarly into 1 affording Ru-II(RL2)(PPh3)(2)(CO)Cl, 2, are proportional to the product of the concentrations of alkyne and methanol. The insertion rate of ha is nearly 5 times faster than that of pa, and for a given alkyne the rate increases as R becomes more electron-withdrawing (OMe < Me < Cl). A reaction model implicating the adduct 1 . MeOH, which binds and activates the alkyne via displacement of MeOH, is proposed.

  DOI：

  10.1021/om000649c
• 作为产物：
  描述：

  盐酸 、 carbonyl(μ-acetato)[4-methyl-6-(N-(p-tolyl)imino)phenol-C(2)]bis(triphenylphosphine)ruthenium(II) 以 二氯甲烷 、 丙酮 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  含亚胺-酚基的羧基螯合钌和Ar芳基新家族的化学

  摘要：

  carbonylhalo的反应[4-甲基-6-（NR-iminiomethyl）phenolato- Ç 2，ö ]双（三苯基膦）金属（II）中，M II（η 2 -RL）（PPH 3）2（CO）X（ M = Ru，Os; X = Cl，Br; R = Ph，p-MeC 6 H 4），1与羧酸钠一起提供羰基（羧基）[4-甲基-6-（NR-亚氨基甲基）苯酚-C 2 ]双（三苯基膦）金属（II）中，M II（η 1 -RL）（PPH 3）2（CO）（η 2 -R'CO 2）（R” = Me中，PH），2。据信该反应是通过羧酸对卤化物的初始缔合的顺式攻击而进行的。用过量的卤化物处理2时，反应2 → 1发生。光谱（UV-VIS，IR，1 HNMR）和用于电化学（金属氧化还原）数据2中报告。结构测定的Ru（η的1 -MeC 6 ħ 4 L）（PPH 3）2（CO）（η 2 -MeCO 2）和Ru（η

  DOI：

  10.1021/om960199h

文献信息

• Isonitrile Insertion into the Ru−O Bond and Migratory C−C Bond Formation. Novel Organoruthenium Imidic Ester and Acyl Species
  作者：Bikash Kumar Panda、Swarup Chattopadhyay、Kaushik Ghosh、Animesh Chakravorty

  DOI：10.1021/om020059+

  日期：2002.6.1

  in the precursor complex 3(Me). The Ru−C(aryl) distance is also longer in 4(Me) by 0.04 Å. Thus both the bonds are activated by isonitrile insertion and the transformation 4 → 5 occurs spontaneously with C−C bond formation via aryl migration attended with isonitrile elimination, the reaction following first-order kinetics. The activation parameters determined for the 4(Cl) → 5(Cl) reaction are ΔH⧧

  [Ru（C 6 H 2 O-2-CHNHC 6 H 4 R-3-Me-5）（PPh 3）2（CO）（Cl）]类型的有机金属，3（R = H，Me，OMe，Cl ），结合四元C，O螯合环平滑地CNBu反应吨苯溶液，得到的黄色有机钌酰亚胺酯盐酸盐系统的[Ru（C 6 H ^ 2 OCN（BU吨）的HCl -2- CHNC 6 ħ 4 R-3-Me-5）（PPh 3）2（CO）（CNBu t）]，4，其中存在五元C，C螯合环。虽然在固态中稳定，但4在溶液中自发反应，提供了红色的螯合物[Ru（C 6 H 2（CO-1）O-2-CHNHC 6 H 4 R-3-Me-5）（PPh 3）2（CNBu t）（Cl）]，5，结合了五元的酰基酚基C，O螯合。过量的CNBu t从5中消除氯离子提供[Ru（C 6 H 2（CO-1）O-2-CHNHC 6 H 4 R-3-Me-5）（PPh 3）2（CNBu t）2
• Synthesis and structure of pyridine-2-thiolato ruthenium aryls bearing a pendant imine–phenol function
  作者：Bikash Kumar Panda、Swarup Chattopadhyay、Kaushik Ghosh、Animesh Chakravorty

  DOI：10.1016/s0277-5387(02)00867-7

  日期：2002.4

  The reaction of Ru(eta(2)-RL)(PPh3)(2)(CO)Cl (1) with sodium pyridine-2-thiolate (Napyt) has afforded the complexes of the type Ru(eta(1)-RL)(PPh3)(2)(CO)(pyt) (3) in excellent yield (eta(2)-RL is C6H2O-2-CHNC6H4R(p)-3-Me-5, eta(1)-RL is C6H2OH-2CHNC6H,R(p)-3-Me-5 and R is Me, MeO, Cl). The reaction is irreversible and is believed to proceed via cis attack by pyt(-) on an octahedral face. The type 3 species are thermodynamically more stable than the corresponding carboxylates, nitrites and nitrates. Structure determination of the solvate, 3(R = Cl).C6H6.0.5C(6)H(14) has revealed a distorted octahedral RuC2P2NS coordination sphere with the pairs (P, P), (C(aryl), N) and (C(carbonyl), S) defining the three trans directions. The eta(1)-ClL ligand metallated ortho to the phenolic oxygen occurs in the imine-phenol tautomeric form (N...O, 2.639(8) Angstrom) which is consistent with IR and H-1 NMR data. The transformation 1 --> 3 is associated with changes in tautomeric form, hapticity and conformation (in relation to CO) of RL. The Ru(eta(1)-ClL) fragment excluding the pendant C6H4Cl(P) group is nearly coplanar (dihedral angle 6.1degrees) with the Ru(pyt) plane. The Ru-S distance, 2.524(1) Angstrom, is longer than usual due to steric reasons. The type 3 complexes display a quasi-reversible Ru(III)/Ru(II) couple near 0.6 V versus SCE. (C) 2002 Elsevier Science Ltd. All rights reserved.