(η(5)-pentamethylcyclopentadienyl)Ru(η(5)-2,4-dimethylpentadienyl) | 115557-91-0

• 英文名称: (η(5)-pentamethylcyclopentadienyl)Ru(η(5)-2,4-dimethylpentadienyl)
• 英文别名: (pentamethylcyclopentadienyl)(η5-2,4-dimethylpentadienyl)ruthenium；[(η5-pentamethylcyclopentadienyl)Ru(η5-2,4-dimethylpentadienyl)]；(pentamethylcyclopentadienyl)Ru(2,4-dimethylpentadienyl)；[(η5-C5Me5)Ru(η5-CH2C(Me)CHC(Me)CH2)]；[(C5Me5)Ru(2,4-dimethyl-η5-pentadienyl)]；C5Me5Ru(dmp)
• CAS: 115557-91-0
• 化学式: C₁₇H₂₆Ru
• 分子量: 331.463
• InChiKey: YQWQTLLMHBXJAS-AUNBPGBOSA-N

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：

  (η(5)-pentamethylcyclopentadienyl)Ru(η(5)-2,4-dimethylpentadienyl) 以 neat (no solvent) 为溶剂， 以53%的产率得到(pentamethylcyclopentadienyl)(η5-1,3-dimethylcyclopentadienyl)ruthenium
  参考文献：
  名称：

  Synthesis of unsymmetrical ruthenocenes by gas phase electrocyclic reactions of pentadienylruthenium complexes

  摘要：

  Reduction of RuCl3.3H2O with zinc in the presence of 5,5-dimethylcyclohexadiene yields bis(6,6-dimethylcyclohexadienyl)ruthenium (3). Similar reactions of [Cp*RuCl2]n with 2,4-di-tert-butylpentadiene and 5,5-dimethylcyclohexadiene yield two new ruthenium pentadienyl compounds Cp*Ru(2,4-di-tert-butylpentadienyl) (4) and Cp*Ru(eta5-6,6-dimethylcyclohexadienyl) (5), respectively. Gas phase pyrolysis of Cp*Ru(eta5-2,4-dimethylpentadienyl) (1), Cp*Ru(eta5-cyclooctadienyl) (2), Cp*Ru(2,4-di-tert-butylpentadienyl) (4), and bis(eta-2,4-dimethylpentadienyl)ruthenium (9) at 400-450-degrees-C led to electrocyclic reaction and yielded Cp*Ru(eta5-1,3-dimethylcyclopentadienyl) (6), Cp*Ru(eta5-1,2-dihydropentalenyl) (7), Cp*Ru(eta5-1,3-di-tert-butylcyclopentadienyl) (8), and Ru(eta5-1,3-dimethylcyclopentadienyl) (11), respectively. Ru(eta5-6,6-dimethylcyclohexadienyl)2 (3) was not volatile under these conditions while Cp*Ru(eta5-6,6-dimethylcyclohexadienyl) (5) survived the pyrolysis unchanged. Single crystal X-ray diffraction studies were completed on 9 and 11. Monoclinic 9 crystallized in the P2(1)/c space group with a = 8.5945(17) angstrom, b = 13.3257(31) angstrom, c = 12.0851(22) angstrom, and beta = 110.670(14)degrees. Monoclinic 11 crystallized in the P2(1)/n space group with a = 10.332(3) angstrom, b = 8.807(2) angstrom, c = 13.884(3) angstrom, and beta = 106.27(2)degrees.

  DOI：

  10.1021/om00034a058
• 作为产物：
  描述：

  2,4-二甲基-1,3-戊二烯 、 二氯(五甲基环戊二烯基)合钌(III)聚合物 在 Zn 作用下， 以 乙醇 为溶剂， 以95%的产率得到(η(5)-pentamethylcyclopentadienyl)Ru(η(5)-2,4-dimethylpentadienyl)
  参考文献：
  名称：

  Bosch, H. William; Hund, Hans-Ulrich; Nietlispach, Daniel, Organometallics, 1992, vol. 11, # 6, p. 2087 - 2098

  摘要：

  DOI：

文献信息

• Syntheses, Structures, and Reactivity Studies of Half-Open Ruthenocenes and Their Oxodienyl Analogues
  作者：M. Elena Navarro Clemente、Patricia Juárez Saavedra、Marisol Cervantes Vásquez、M. Angeles Paz-Sandoval、Atta M. Arif、Richard D. Ernst

  DOI：10.1021/om010735s

  日期：2002.2.1

  to Cp*Ru(Pdl) complexes (Pdl = 2,4-dimethylpentadienyl and various oxodienyl ligands) including Cp*Ru(η5-2,4-Me2-C4H3O) (1), Cp*Ru[η5-2,4-(t-Bu)2-C4H3O] (1‘), and Cp*Ru(η5-2,4-Me2-C5H5) (1‘ ‘) have been developed, and the relative reactivities of the resulting complexes toward oxidative addition or ligand addition reactions have been examined. Thus, the oxopentadienyl complexes 1 and 1‘ and the 2,4

  改进的合成路线的Cp *茹（PDL）络合物（PDL = 2,4-二甲基和各种oxodienyl配体）包括的Cp *茹（η 5 -2,4--ME 2 -C 4 ħ 3 O）（1）中，Cp *茹[η 5 -2,4-（吨-Bu）2 -C 4 H ^ 3 O]（1 “），1和Cp *茹（η 5 -2,4--ME 2 -C 5 ħ 5）（1已经开发了“”），并且已经检查了所得络合物对氧化加成或配体加成反应的相对反应性。因此，氧戊二烯基络合物1发现1 '和2,4-二甲基戊二烯基络合物1 ''经过SnCl 4，Me 2 SnCl 2，I 2，Cl 2（通过CHCl 3）和O 2的氧化加成，生成Cp * Ru [η 3 -CH 2 C（R）CHC（R）O]（X 1）（X 2）[R = Me，X 1 = Cl，X 2 = SnCl 3（2）; R =我，X 1 = X 2 = I（3）; R = t -Bu，X
• Reaction of Pentadienyl Complexes with Metal Carbonyls:  Synthetic, Structural, and Theoretical Studies of Metallabenzene π-Complexes
  作者：Ulrike Effertz、Ulli Englert、Frank Podewils、Albrecht Salzer、Trixie Wagner、Martin Kaupp

  DOI：10.1021/om020789h

  日期：2003.1.1

  The reaction of open and half-open sandwich complexes of iron and ruthenium with metal carbonyls was studied. Three types of complexes could be isolated:  Carbonyl-bridged iron−ruthenium dimers with cyclopentadienyl and pentadienyl terminal ligands, dimetallic iron carbonyl complexes with a bridging σ,π-coordinated pentadienyl ligand, and ruthenium complexes with one or two π-coordinated ruthenabenzene

  研究了铁和钌的开放式和半开放式三明治络合物与羰基金属的反应。可以分离出三种类型的配合物：具有环戊二烯基和戊二烯基末端配体的羰基桥联的铁-钌二聚体，具有桥接σ，π配位的戊二烯基配体的双金属羰基铁络合物以及具有一个或两个π配位的钌苯配体的钌配合物。后者是有史以来第一个分离的双（金属苯）π-络合物。C的X射线结构5我5的Ru（CO）4的Fe（C 7 ħ 11），（μ-C 7 H ^ 10）的Fe 2（CO）6，和[（C 8 H ^ 11报道了）Ru（CO）3 ] 2 Ru。密度泛函计算已被用来更好地理解金属苯配合物中的键合。电子本地化功能（ELF）清楚地证实了所研究的配合物中的金属-金属键相互作用。特别地，发现双（金属甲苯）络合物13在ELF中以其稳定的同月蚀构象显示出三中心键合吸引子，但是在ca中显示出两个两个中心的吸引子。30 kJ摩尔-1较稳定的抗遮挡布置。金属苯的前沿轨道表现出非常大的环
• Synthesis of an ?open? osmocene L2Os (L=2,4-Me2C5H5) and a ?semiopen? ruthenocene LRuC5Me5 and a new convenient method for the synthesis of (C5H4R)2Os (R=H, Me)
  作者：A. Z. Kreindlin、P. V. Petrovskii、M. I. Rybinskaya

  DOI：10.1007/bf00960164

  日期：1987.8
• Half-open ruthenocenes derived from [Ru(C5Me5)Cl]4: syntheses, characterizations, and solid-state structures
  作者：Wimonrat Trakarnpruk、Atta M. Arif、Richard D. Ernst

  DOI：10.1021/om00040a045

  日期：1992.4

  A variety of half-open ruthenocenes of the general formula Ru(C5Me5)(Pdl) have been prepared from [Ru(C5Me5)Cl]4. For C5H7 or alkylated or arylated pentadienyl groups (1-, 2-, or 3-C6H9; 2,3-C7H11; 2,4-C7H11; 1,5-(C6H5)2C5H5), their introductions were brought about by using their potassium salts. For the oxo dienyl analogues 2,4-OC6H9 or 3,5-OC6H9, the respective enone or enal could be utilized, which underwent deprotonation upon coordination in the presence of K2CO3. With HPdl = 2,4-(CF3)2C5H6, coordination is accompanied by the spontaneous elimination of HCl, yielding Ru(C5Me5)[2,4-(CF3)2C5H5]. A similar reaction led to Ru(C5Me4Et)[2,4-(CF3)2C5H5]. In addition to various spectroscopic studies, structural studies were carried out on the Pdl = 3-C6H9 and 3,5-OC6H9 complexes, as well as for Ru(C5Me4Et)[2,4-(CF3)2C5H5]. For the Pdl = 3-C6H9 complex, the space group is P2(1)/m with a = 7.598 (1) angstrom, b = 13.246 (2) angstrom, c = 7.526 (1) angstrom, beta = 96.429 (4)-degrees, and V = 752.7 angstrom 3 for Z = 2. For the oxo dienyl compound, the space group is P2(1)2(1)2(1), with a = 10.651 (2) angstrom, b = 11.925 (1) angstrom, c = 11.987 (2) angstrom, and V = 1522.4 angstrom 3 for Z = 4. For the 2,4-(CF3)2C5H5 compound, the space group is Cmc2(1) with a = 15.324 (3) angstrom, b = 8.785 (2) angstrom, c = 13.726 (2) angstrom, and V = 1847.8 angstrom 3 for Z = 4. The structures were refined to respective R (and R(w)) values of 0.026 (0.030), 0.034 (0.035), and 0.028 (0.031).
• Bertling, Ulrike; Englert, Ulli; Salzer, Albrecht, Angewandte Chemie, 1994, vol. 106, p. 1026 - 1028
  作者：Bertling, Ulrike、Englert, Ulli、Salzer, Albrecht

  DOI：——

  日期：——