[(η(6)-cymene)RuCl2(CN(t)Bu)] | 135944-35-3

• 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: [(η(6)-cymene)RuCl2(CN(t)Bu)]
• 英文别名: [(η(6).-cymene)RuCl2(tert-butylisonitrile)]；RuCl2(η6-p-cymene)(tert-butyl isocyanide)；[RuCl2(η6-p-cymene)(CNC(CH3)3)]；dichlororuthenium;2-isocyano-2-methylpropane;1-methyl-4-propan-2-ylbenzene
• CAS: 135944-35-3
• 化学式: C₁₅H₂₃Cl₂NRu
• 分子量: 389.33
• InChiKey: LCAWRACPOURMER-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  吡唑 、 [(η(6)-cymene)RuCl2(CN(t)Bu)] 、 四苯硼钠 以 乙醇 为溶剂， 以70%的产率得到[RuCl(pyrazole)(η6-p-cymene)(CNC(CH3)3)]B(C6H5)4
  参考文献：
  名称：

  钌锇吡唑-吡唑酯半夹心配合物的制备

  摘要：

  吡唑 (HRpz) [MCl(η6-p-cymene)(HRpz)L]BPh4 (1-8) 和咪唑 (HIm) 复合物 [MCl(η6-p-cymene)(HIm)L]BPh4 (9-10) [M = Ru, Os; R = H, 3-Me, 3,5-Me2; L = P(OEt)3、PPh(OEt)2、PPh2OEt、CNtBu]是通过让二氯化合物 MCl2(η6-p-伞花烃)L 在 NaBPh4 存在下与适当的唑反应来制备的。用过量的吡唑和 NEt3 处理二氯配合物产生吡唑-吡唑衍生物 [M(Rpz)(η6-p-cymene)(HRpz)L]BPh4 (11-14)。相反，羰基化合物 RuCl2(η6-p-cymene)(CO) 与吡唑或咪唑反应生成双唑配合物 [MCl(η6-p-cymene)(HRpz)2]BPh4 或 [MCl(η6-p-cymene) )(HIm)2]BPh4 (15–17)。配合物通过光谱（IR

  DOI：

  10.1002/ejic.201000799
• 作为产物：
  描述：

  [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 异氰酸叔丁酯 以 甲苯 为溶剂， 生成 [(η(6)-cymene)RuCl2(CN(t)Bu)]
  参考文献：
  名称：

  1,3-三叠氮烯配体的钌和对甲基cy烯配合物的制备和反应性

  摘要：

  p -Cymene络合物的MC1 2（η 6 - p -cymene）L [M =钌，锇; L = P（OET）3，PPH（OET）2，（CH 3）3 CNC]通过允许制备的MC1（μ-Cl）的（η 6 - p -cymene）] 2与亚磷酸酯或反应叔丁基异氰化物。的MC1的治疗2（η 6 - p -cymene）L-络合物与1,3- ARN NN（H）中的Ar三氮烯和过量净的3得到阳离子triazenide衍生物[M（η 2 -1,3- ArNNNAr）（ η 6 - p-cymene）L] BPh 4（Ar = Ph，p-甲苯基）。中性triazenide络合物的MC1（η 2 -1,3- ArNNNAr）（η 6 - p -cymene）（M =钌，锇）也通过允许制备的MC1（μ-Cl）的（η 6 - p -cymene）] 2在三乙胺存在下与1,3-二芳基三氮烯反应。p -Cymene络合物的MC1

  DOI：

  10.1016/j.jorganchem.2010.05.028

文献信息

• Isocyanide arene-ruthenium(II) complexes and activation of alkenylacetylenes: synthesis and characterization of isocyanide carbene- and mixed carbene-ruthenium compounds
  作者：Rainer Dussel、Didier Pilette、Pierre H. Dixneuf、Wolf Peter Fehlhammer

  DOI：10.1021/om00055a055

  日期：1991.9

  [RuCl2(eta-6-arene)]2 complexes 1 (eta-6-MeC6H4(i)Pr), 2 (eta-6-C6H2Me4), and 3 (eta-6-C6Me6) react with isocyanide CNR [R = (t)Bu (a), C6H11 (b), CH2CO2C6H4Me (c), CH2CO2Et (d), (CH2)4Cl (e), and (CH2)2OSiMe3 (f)] to produce a variety of RUCl2(CNR)(eta-6-arene) derivatives 4-6, which give a C = N absorption in the infrared at high wavenumbers between 2165 and 2206 cm-1. (C6Me6)Cl2RuCN(CH2)2OSiMe3 (6f) on reaction with KF in methanol affords the carbene complex (C6Me6)Cl2Ru:CNHCH2CH2O (8). Cyclic voltammetry of complexes 4-6 shows that only with the most electron-releasing arene C6Me6 a reversible oxidation occurs, at 1.06-1.15 V(SCE) for complexes 6a-f and at 0.80 V(SCE) for 8. Complexes 6a, 6e, and 8 activate isopropenylacetylene, via an allenylidene intermediate, and in the presence of methanol give access to alkenylcarbene complexes containing the Ru = C(OMe)CH = CMe2 moiety 7a,e and the mixed carbene complex 9.
• 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.