(η6-p-MeC6H4CHMe2)Cl2Ru(PMe3) | 84663-68-3

• 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: (η6-p-MeC6H4CHMe2)Cl2Ru(PMe3)
• 英文别名: RuCl2(η-p-cymene)(PMe3)；[RuCl2(η6-4-methylisopropylbenzene)(trimethylphosphine)]；[(η(6).-cymene)RuCl2(trimethylphosphine)]；[RuCl2(η6-p-cymene)(P(CH3)3)]；[(η(6)-cymene)RuCl2(PMe3)]；[RuCl2(η6-p-cymene)(PMe3)]；Rucl2(pme3)(p-cymene)；dichlororuthenium;1-methyl-4-propan-2-ylbenzene;trimethylphosphane
• CAS: 84663-68-3
• 化学式: C₁₃H₂₃Cl₂PRu
• 分子量: 382.275
• InChiKey: ASEJMIMFFKDXLR-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  5.85
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  (η6-p-MeC6H4CHMe2)Cl2Ru(PMe3) 、 potassium carbonate 在 water 作用下， 以 丙酮 为溶剂， 以95%的产率得到[Ru(η2-O2CO)(η6-p-cymene)(P(CH3)3)]
  参考文献：
  名称：

  [Ru(η2-O2CO)(η6-arene)(L)] 碳酸酯配合物（L = 磷烷，卡宾）的直接制备及其作为 [RuH2(p-cymene)(PCy3)] 和 [Ru(η6) 前体的用途-芳烃)(L)(MeCN)2][BF4]2：[Ru(η2-O2CO)(p-伞花烃)(PCy3)]·1/2CH2Cl2和[Ru(η2-O2CO)的X射线晶体结构测定)(η6-C6Me6)(PMe3)]·H2O

  摘要：

  [RuCl2(η6-芳烃)(PR3)] 配合物在水存在下与 K2CO3 反应，得到碳酸钌 (II) 衍生物 [Ru(η2-O2CO)(η6-芳烃)(PR3)] (2; arene = p -伞花烃，R = Cy、Ph 或 Me；芳烃 = 六甲苯，R = Me) 涉及平面 Ru(η2-O2CO) 部分，如 2a（对伞花烃，PCy3）和 2d 的 X 射线晶体结构测定所示（六甲苯，PMe3）。复合物 [Ru(η2-O2CO)(p-cymene)(PCy3)] 在热甲醇中完全转化为二氢化物 [RuH2(p-cymene)(PCy3)]。相关配合物 [Ru(η2-O2CO)(η6-arene)(IMes)] [arene = p-cymene or hexamethylbenzo, IMes = 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]通过在

  DOI：

  10.1002/ejic.200500973
• 作为产物：
  描述：

  氘代氯仿 、 [Ru(CCPh)2(η6-4-methylisopropylbenzene)(trimethylphosphine)] 以 氘代氯仿 为溶剂， 生成 (η6-p-MeC6H4CHMe2)Cl2Ru(PMe3)
  参考文献：
  名称：

  New Types of (Arene)ruthenium Alkynyl Complexes

  摘要：

  The reaction of [{RuCl(cym)}(2)(mu -Cl)(2)] (cym eta (6)-4-methylisopropylbenzene) with 1,10-phenanthroline and NaBAr'(4) (Ar' = 3,5-bis(trifluoromethyl)phenyl), followed by addition of excess sodium acetylide, yielded the complex [Ru(CCH)(cym)(phen)]BAr'(4) (1), the first cationic (arene)ruthenium alkynyl. Similar [Ru(CCPh)(cym)(phen)]BAr'(4) (2) and [Ru(CCSiMe3)(cym)(phen)]BAr'(4) (3) complexes were prepared in an analogous manner from the corresponding lithium acetylides and in situ generated ruthenium triflate precursors. Protonation of 1 with HOTf afforded the acyl complex [Ru(C(O)CH3)(cym)(phen)]BAr'(4) (4), presumably by reaction of an initially formed dicationic vinylidene with adventitious water. The reaction of [RuCl2-(cym)(PMe3)] with excess LiCCPh afforded the complex [Ru(CCPh)(2)(cym)(PMe3)] (5), the first (arene)ruthenium bis(acetylide) complex. All new compounds were characterized by IR and NMR, and the crystal structures of 1, 4, and 5 were determined by X-ray diffraction.

  DOI：

  10.1021/om000834q
• 作为试剂：
  描述：

  BOC-L-苯丙氨酸 、 2-甲基-1-丁烯-3-炔 在 (η6-p-MeC6H4CHMe2)Cl2Ru(PMe3) 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以64%的产率得到(S)-2-tert-Butoxycarbonylamino-3-phenyl-propionic acid 2-methyl-1-methylene-allyl ester
  参考文献：
  名称：

  由羧酸和丁烯衍生物一步合成2-酰氧基-1,3-二烯

  摘要：

  通过以（亚芳基）（膦）钌（II）配合物为催化剂，将羧酸和N-保护的氨基酸区域选择性地加成到乙烯基乙炔衍生物上，获得2-酰氧基-1,3-二烯。

  DOI：

  10.1039/c39900001199

文献信息

• New Octahedral RuCl2(CO)(L)[η2-(P,O)-ketophosphane] Complexes Containing One Hemilabile Ketophosphane Ligand
  作者：Bernard Demerseman

  DOI：10.1002/1099-0682(200109)2001:9<2347::aid-ejic2347>3.0.co;2-9

  日期：2001.9

  Ph2PCH2C(=O)tBu (1), Ph2PCMe2C(=O)iPr (1′), or Ph2PCMe2CH2C(=O)Me (1′′) with a precursor complex RuCl2(L)(η6-p-cymene) [L = PMe3 (a), PMePh2 (b), PiPrPh2 (c), PPh3 (d), P(OMe)Ph2 (e), P(OMe)3 (f)] in methanol and under carbon monoxide, provides an access to a novel family of complexes (ttt)-RuCl2(CO)(L)[η2-(P,O)-ketophosphane] (2a−e, 2′a,e,f, and 2′′a) with trans-chlorine and trans-phosphorus atoms. Further

  酮膦 Ph2PCH2C(=O)tBu (1)、Ph2PCMe2C(=O)iPr (1') 或 Ph2PCMe2CH2C(=O)Me (1'') 与前体复合物 RuCl2(L)(η6-p -cymene) [L = PMe3 (a), PMePh2 (b), PiPrPh2 (c), PPh3 (d), P(OMe)Ph2 (e), P(OMe)3 (f)] 在甲醇和一氧化碳下, 提供了一个新的复合物家族 (ttt)-RuCl2(CO)(L)[η2-(P,O)-ketophosphane] (2a−e, 2'a,e,f, and 2''a ) 与反式氯和反式磷原子。在热活化下与一氧化碳或乙腈进一步反应产生顺式、顺式、反式衍生物 (cct)-RuCl2(CO)2(L)[η1-(P)-ketophosphane] 4a,b 和 4'a，和 (cct )-RuCl2(CO)(MeCN)(L)[η1-(P)-酮磷烷]
• Enthalpies of Reaction of ((p-cymene)RuCl2)2 with Monodentate Tertiary Phosphine Ligands. Importance of Both Steric and Electronic Ligand Factors in a Ruthenium(II) System
  作者：Scafford A. Serron、Steven P. Nolan

  DOI：10.1021/om00010a027

  日期：1995.10

  The enthalpies of reaction of ((p-cymene)RuCl2)(2) (p-cymene = (CH3)(2)CH(C)6H(4)CH(3)) with a series of tertiary phosphine ligands, leading to the formation of (p-cymene)RuCl2(PR(3)) complexes (PR(3) = tertiary phosphine) have been measured by solution calorimetry in CH2-Cl-2 at 30 degrees C. The range of reaction enthalpies spans some 22 kcal/mol. The overall relative order of stability established is as follows (PR(3);-Delta H, kcal/mol): P(p-CF3C6H4)(3) < PCy(3) < PCy(2)Ph < P(p-ClC6H4)(3) < P(OPh)(3) < (PPr3)-Pr-i < PPh(3) < P(P-FC6H4)(3) < P(P-CH3C6H4)(3) < PCyPh(2) < P(P-CH3OC6H4)(3) < P(i)Bu(3) < PBz(3) < PPh(2)Et < PPh(2)Me < P(OMe)(3) < PEt(3) < PPhMe(2) < PMe(3). A quantitative analysis of ligand effect of the present data helps clarify the exact steric versus electronic ligand contributions to the enthalpy of reaction in this system. Both steric and electronic factors appear to play an important role in dictating the magnitude of the enthalpy of reaction.
• (Dialkylsulfide)(arene)ruthenium(II) derivatives
  作者：Mohamed Gaye、Bernard Demerseman、Pierre H. Dixneuf

  DOI：10.1016/0022-328x(91)86026-m

  日期：1991.7

  The preparations are reported of neutral and cationic (dialkylsufide)(eta-6-arene)ruthenium(II) complexes of the types (eta-6-arene)Cl2Ru(SR2), [(eta-6-arene)ClRu(SR2)2]+ and [(eta-6-arene)ClRu(SR2)(L)]+. These complexes containing labile R2S-Ru bonds can be used in the ready generation of 16 electron ruthenium moieties for the activation of terminal alkynes and access to cationic (carbene)(eta-6-arene)ruthenium(II) derivatives such as (1,3,5-Me3C6H3)ClRu(SMe2)[C(OMe)CH2Ph]}+ and (C6Me6)ClRu(PMe3)[C(OMe)CH2Ph]}+.
• 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.
• Demerseman, Bernard; Le Lagadec, Ronan; Guilbert, Bénédicte, Organometallics, 1994, vol. 13, # 6, p. 2269 - 2283
  作者：Demerseman, Bernard、Le Lagadec, Ronan、Guilbert, Bénédicte、Renouard, Corinne、Crochet, Pascale、Dixneuf, Pierre H.

  DOI：——

  日期：——