[(η(6)-benzene)RuCl(NCCH3)2]PF6 | 147657-47-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [(η(6)-benzene)RuCl(NCCH3)2]PF6
• 英文别名: [(η(6)-C6H6)Ru(NCMe)2Cl]PF6；[(η6-benzene)Ru(acetonitrile)2Cl][PF6]；[(η6-C6H6)Ru(acetonitrile)2Cl][PF6]；[(benzene)RuCl(acetonitrile)2][PF6]；Acetonitrile;benzene;chlororuthenium(1+);hexafluorophosphate
• CAS: 147657-47-4
• 化学式: C₁₀H₁₂ClN₂Ru*F₆P
• 分子量: 441.706
• InChiKey: PRUGQBVZFDVNEF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  6.82
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  N,N-二甲基苄胺 、 [(η(6)-benzene)RuCl(NCCH3)2]PF6 在 sodium hydroxide 作用下， 以 氘代乙腈 为溶剂， 生成 [Ru(η⁶-C6H6)(2-N,N-dimethylbenzylamine(-1H))(MeCN)]PF6
  参考文献：
  名称：

  An Effective Route to Cycloruthenated N-Ligands under Mild Conditions

  摘要：

  Cycloruthenated complexes of the type [(eta(6)-C6H6)Ru(C boolean AND N)CH3CN]+PF6- (C boolean AND N = C6H4-2-CH2NMe2, (R)-(+)-C6H4-2-CH(Me)NMe2, C6H2-3, 4-(OCH3)(2)-2-CH2NMe2) are readily obtained by the intramolecular C-H activation of N,N-dimethylbenzylamine derivatives with [(eta(6)-C6H6)RuCl2](2) in up to 53% isolated yields. Under similar conditions, 8-methylquinoline also Led to a cycloruthenated complex, though in, lower yield (12%) and after a longer reaction, time. Reaction with the optically active (R)-(+)-N,N-dimethyl-1-phenylethylamine led to a 48% diastereomeric excess in the cycloruthenated product. Under the same conditions, and after 14 and 65 h of reaction time, respectively, 2-phenyl- and 2-benzylpyridine are cyclometalated, leading to the formation of complexes in which the benzene ligand has been substituted by three acetonitriles: [(C boolean AND N)Ru(CH3CN)(4)]+PF6- (C boolean AND N = C6H4-2-C5H4N, C6H4-2-(CH2)-C5H4N) were obtained in. 40 and 24% isolated yields, respectively.

  DOI：

  10.1021/om9901067
• 作为产物：
  描述：

  [RuCl2(benzene)]2 、 ammonium hexafluorophosphate 、 乙腈 以 乙腈 为溶剂， 以84%的产率得到[(η(6)-benzene)RuCl(NCCH3)2]PF6
  参考文献：
  名称：

  McCormick, Fred B.; Cox, David D.; Gleason, William B., Organometallics, 1993, vol. 12, # 3, p. 610 - 612

  摘要：

  DOI：

文献信息

• Heterodinuclear Arene Ruthenium Complexes Containing a Glycine-Derived Phosphinoferrocene Carboxamide: Synthesis, Molecular Structure, Electrochemistry, and Catalytic Oxidation Activity in Aqueous Media
  作者：Jiří Tauchman、Bruno Therrien、Georg Süss-Fink、Petr Štěpnička

  DOI：10.1021/om3002087

  日期：2012.5.28

  respect to each other. All complexes showed high activity for the catalytic oxidation of secondary alcohols with tert-butyl hydroperoxide to give ketones in aqueous media. The most active catalyst was obtained from the neutral p-cymene complex 4b, showing a catalytic turnover frequency of 13 200 h–1 at room temperature for the oxidation of 1-phenylethanol at a substrate/catalyst ratio of 100 000.

  三个系列异双核钌-铁复合物的已被从合成（η 6 -arene）二氯化钌二聚体和包含基于甘氨酸-甲酰氨基取代基phosphinoferrocene配体。中性配合物[（η 6 -arene）的RuCl 2（PH 2 PfcCONHCH 2 CO 2 ME-κ P）]（4，芳烃=苯（一），p -cymene（b），六甲基苯（Ç）; FC =二茂铁-1,1'-二基）由的[（η桥裂解反应得到的6 -arene）的RuCl 2 ] 2的Ph 2在氯仿溶液中的PfcCONHCH 2 CO 2 Me（1）。络合物[（η 6 - p -cymene）的RuCl 2（PH 2 PfcCONHCH 2 CONH 2 -κ P）]（图6b）在pH相同的方式合成2 PfcCONHCH 2 CONH 2（3）; [（η的制备6 - p的RuCl -cymene）2（PH 2 PfcCONHCH 2 CO 2 H-κ
• Chiral phosphine complexes of ruthenium(II) arenes
  作者：Deryn E. Fogg、Brian R. James

  DOI：10.1016/0022-328x(93)83387-b

  日期：1993.12

  Chiral, arene-containing complexes of ruthenium(II) based on the phosphines chiraphos and diop are reported, as well as improved routes to some known analogues containing binap or the achiral phosphines Ph2P(CH2)nPPh2(n = 2, dppe; n = 4, dppb).

  报道了基于膦基手性膦和双酚的手性，含芳烃的钌（II）配合物，以及改进了向某些已知的含有二萘酚或非手性膦Ph 2 P（CH 2）n PPh 2（n = 2 ）的类似物的途径。，dppe；n = 4，dppb）。
• Chelate ring-opening aminophosphine complexes of ruthenium(II)
  作者：Robert Morris、Abraha Habtemariam、Zijian Guo、Simon Parsons、Peter J Sadler

  DOI：10.1016/s0020-1693(02)01133-7

  日期：2002.11

  aminophosphine complexes trans, cis-[RuCl2(H(Bz)NCH2CH2PPh2-N,P)2] (1), trans, cis-[RuCl2(H2NCH2CH2PPh2-N,P)2] (3) and [(η6-C6H6)Ru(PPh2CH2CH2NMe2-N,P)Cl][PF6] (5) are described. Complexes 1 and 3 are octahedral and contain a marked distortion of the ClRuCl axis from linearity. Complex 3 undergoes facile chelate ring-opening in DMSO and CH3CN solutions to give complexes containing one chelated aminophosphine

  摘要Ru（II）氨基膦配合物反式，顺式-[RuCl2（H（Bz）NCH2CH2PPh2-N，P）2]（1），反式，顺式-[RuCl2（H2NCH2CH2PPh2-N）的制备及X射线晶体结构，（P）2]（3）和[（η6 -C 6 H 6）Ru（PPh 2 CH 2 CH 2 NMe 2 -N，P）Cl] [PF 6]（5）被描述。配合物1和3是八面体的，并且由于线性关系，ClRuCl轴存在明显的变形。配合物3在DMSO和CH3CN溶液中进行螯合开环，得到的复合物包含一个螯合的氨基膦配体和一个仅通过P配位的侧挂配体。反式，顺式-[RuCl2（DMSO-S）2（H2NCH2CH2P）还报道了含有氧化的氨基膦配体的（O）Ph2-N，O）]（4）。
• Freedman, Daniel A.; Magneson, David J.; Mann, Kent R., Inorganic Chemistry, 1995, vol. 34, # 10, p. 2617 - 2624
  作者：Freedman, Daniel A.、Magneson, David J.、Mann, Kent R.

  DOI：——

  日期：——
• Mononuclear Ruthenium and Hetero-Tetranuclear Ruthenium-Silver Complexes Containing the Unsymmetrical Bidentate Ligands R2P(CH2)nER′2 (n = 1, 2; E = P, As) as Chelating or Bridging Units
  作者：Guido Fries、Birgit Weberndörfer、Kerstin Ilg、Helmut Werner

  DOI：10.1002/1099-0682(200007)2000:7<1651::aid-ejic1651>3.0.co;2-2

  日期：2000.7