RuCl2(phenylvinylidene)(triisopropylphosphane)2

• 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: RuCl2(phenylvinylidene)(triisopropylphosphane)2
• 英文别名: RuCl2(triisopropylphosphine)2(=C=CHPh)；[RuCl2(PiPr3)2(CCHPh)]
• 化学式: C₂₆H₄₈Cl₂P₂Ru
• 分子量: 594.591
• InChiKey: RVTKVOBFXQHZCQ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  10.41
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.69
• 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：

  RuCl2(phenylvinylidene)(triisopropylphosphane)2 以 氘代苯 、 苯 为溶剂， 生成 [RuCl2(PiPr3)2(CO)2]
  参考文献：
  名称：

  Coupling of terminal alkynes by RuHXL2 (X=Cl or N(SiMe3)2, L=PiPr3)

  摘要：

  The compounds RuL(2)HX, where L = P(i)Pr(3) and X = Cl or N(SiMe(3))(2), are catalyst precursors for dimerization of terminal alkynes to enynes and also to cumulenes at 23 degrees C; selectivity among these products is X-dependent, but not high. Conversion of Ru species onto the catalytic cycle was undetectably small, so alternative approaches to understanding the catalytic mechanism were employed: stoichiometric reactions, independent synthesis of candidate intermediates, and trapping with CO. These show the intermediacy of vinylidenes and vinyl compounds, and reveal conversion of cumulenes to the thermodynamically more stable enynes. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.12.016
• 作为产物：
  描述：

  三异丙基膦 以 二氯甲烷 、 异丙醇 、 苯 为溶剂， 生成 RuCl2(phenylvinylidene)(triisopropylphosphane)2
  参考文献：
  名称：

  Five-Coordinate 16-Electron Carbene- and Vinylideneruthenium(II) Complexes Prepared from [RuCl₂(C₈H₁₂)]_n or from the New Dihydridoruthenium(IV) Compound [RuH₂Cl₂(PⁱPr₃)₂]

  摘要：

  The dihydridoruthenium(IV) compound [RuH2 Cl-2((PPr3)-Pr-i)(2)] (2), which is obtained on treatment of [RuCl2(C8H12)](n) with (PPr3)-Pr-i in 2-butanol. in the presence of H-2, reacts with PhC=CH in CH2Cl2 at 25 degrees C to give a mixture of [RuCI2(=C=CHPh)((PPr3)-Pr-i)(2)] (4) and [RuCl2(=CHCH(2)Ph)((PPr3)-Pr-i)(2)] (5) Both complexes 4 and 5 as well as the methylcarbene derivative [RuCl2(=CHCH3)((PPr3)-Pr-i)(2)] (6) have been isolated; moreover, compounds 2 and 5 have been characterized by X-ray crystal structure analyses.

  DOI：

  10.1021/om9509554
• 作为试剂：
  描述：

  2-ethynylfluorene 在 1-甲基吡咯烷 、 RuCl2(phenylvinylidene)(triisopropylphosphane)2 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 (Z)-1,4-bis(2-fluorenyl)but-1-en-3-yne 、
  参考文献：
  名称：

  使用区域和立体选择性炔烃二聚催化剂加聚2,7-二乙炔基-9,9-二辛基芴

  摘要：

  聚（9,9-二辛基-2,7-亚乙炔基芴亚乙烯基）的三个几何异构体[聚（1）]具有（ë） - ，（Ž） - ，和宝石-亚乙烯基单位已在高区域选择性制备和通过三种过渡金属催化剂催化加成2,7-二乙炔基-9,9-二辛基芴（1）的立体选择性。因此，钯催化剂（2选自Pd产生的），原位（OAC）2，1,3-氯化dimesitylimidazolinium（SIMES·HCl的），和Cs 2 CO 3，有效地催化的（ë） -选择性的反应，得到（ê）丰富的poly（1）的选择性超过99％，而使用催化量的RuCl 2（C CHPh）（PPr i3）2（3）在N-甲基吡咯烷酮的存在下以超过92％的选择性形成富含（Z）的poly（1）。另一方面，铑催化剂[RhCl（PMe 3）2 ] 2（4）以94％的选择性形成带有宝石-亚乙烯基键的聚（1）。的区域选择性和立体化学课程以及保留的催化剂性质2 - 4中aryla

  DOI：

  10.1021/ma035181e

文献信息

• The Sensitive Balance between Five-Coordinate Carbene and Six-Coordinate Carbyne Ruthenium Complexes Formed from Ruthenium Vinylidene Precursors
  作者：Pablo González-Herrero、Birgit Weberndörfer、Kerstin Ilg、Justin Wolf、Helmut Werner

  DOI：10.1021/om010422x

  日期：2001.8.1

  carbene complexes [Ru(κ2-O2CR1)C(CH2Ph)OC(O)R2}(PiPr3)2]BArf [R1 = R2 = CHF2 (7a), CF3 (7b); R1 = CF3, R2 = H (7c)] were obtained on protonation of the precursors [Ru(κ1-O2CR1)(κ2-O2CR2)(CCHPh)(PiPr3)2] (4a−c) with [H(OEt2)2]BArf. Both 7a and 7b undergo a fluxional process in solution resulting in a κ1/κ2 interconversion of the carboxylato groups. The crystal and molecular structures of 2b, 5e, and 6a

  二氯（亚乙烯基）钌化合物[RuCl 2（C CHR）L 2 ]（R = Ph或t Bu和L = PCy 3或P i Pr 3）（1a - d）与[H（OEt 2）2 ] BAR ˚F（巴˚F - = [B C 6 H ^ 3（CF 3）2 -3,5} 4 ] - ）导致质子的在C攻击β亚乙烯基配体的碳原子，并以几乎定量的产率得到相应的阳离子，五配位碳氮鎓络合物[RuCl 2（⋮CCH 2 R）L 2 ] BAr f（2a - d）。所述羧酸根衍生物将[RuCl（κ的质子化2 -O 2 CR）（Ç CHPh配合）（P我镨3）2 ] [R = H（图3a），CH 3（图3b），或PH（3F）]与[ H（OET 2）2 ] BAR ˚F导致形成五配位环状卡宾配合物[RuCl C（CH 2 Ph）OC（O）R}（P i Pr 3）2 ] BAr f [R = H（6a），CH 3（6b） ，
• Synthesis and Molecular Structure of Six-Coordinate Dichlorodihydridoruthenium(IV) and Five-Coordinate Vinylideneruthenium(II) Complexes
  作者：Justin Wolf、Wolfram Stüer、Claus Grünwald、Olaf Gevert、Matthias Laubender、Helmut Werner

  DOI：10.1002/(sici)1099-0682(199811)1998:11<1827::aid-ejic1827>3.0.co;2-q

  日期：1998.11

  [RuCl2(=C=CHPh)(PiPr3)2] (7) and with propargylic alcohols or derivatives thereof to afford the vinylcarbene complexes [RuCl2(=CHCH=CR2)(PiPr3)2] (9, 10), respectively. From 5 and terminal alkynes RC≡CH the chlorohydridovinylidene compounds [RuHCl(=C=CHR)(PiPr3)2] (11, 12) were obtained. The phenylvinylidene complex [RuCl2(=C=CHPh)(PCy3)2] (15) was prepared from phenylacetylene and either [RuH2Cl2(PCy3)2] (14) or

  二氯二氢化钌 (IV) 化合物 [RuH2Cl2(PiPr3)2] (4) 由 [RuCl2(C8H12)]n (3)、PiPr3 和 H2 在 2-丁醇中通过氯氢化钌 (II) 衍生物 [RuHCl(H2) (PiPr3)2] (5) 作为中间体。在类似条件下，在 NEt3 存在下，由 3、PiPr3、H2 和 2-丁醇合成 5。通过 X 射线晶体结构分析表征的化合物 4 与过量的苯乙炔反应得到苯亚乙烯基络合物 [RuCl2(=C=CHPh)(PiPr3)2] (7) 并与炔醇或其衍生物反应得到乙烯基卡宾络合物 [RuCl2(=CHCH=CR2)(PiPr3)2] (9, 10)，分别。从 5 和末端炔烃 RC≡CH 获得氯氢化亚乙烯基化合物 [RuHCl(=C=CHR)(PiPr3)2] (11, 12)。苯基亚乙烯基络合物 [RuCl2(=C=CHPh)(PCy3)2] (15) 由苯乙炔和
• Vinylidene, Vinyl, and Carbene Ruthenium Complexes with Chelating Diphosphanes as Ligands
  作者：Helmut Werner、Stefan Jung、Pablo González-Herrero、Kerstin Ilg、Justin Wolf

  DOI：10.1002/1099-0682(200108)2001:8<1957::aid-ejic1957>3.0.co;2-e

  日期：2001.8
• Coupling of terminal alkynes by RuHXL2 (X=Cl or N(SiMe3)2, L=PiPr3)
  作者：Joo-Ho Lee、Kenneth G. Caulton

  DOI：10.1016/j.jorganchem.2007.12.016

  日期：2008.4

  The compounds RuL(2)HX, where L = P(i)Pr(3) and X = Cl or N(SiMe(3))(2), are catalyst precursors for dimerization of terminal alkynes to enynes and also to cumulenes at 23 degrees C; selectivity among these products is X-dependent, but not high. Conversion of Ru species onto the catalytic cycle was undetectably small, so alternative approaches to understanding the catalytic mechanism were employed: stoichiometric reactions, independent synthesis of candidate intermediates, and trapping with CO. These show the intermediacy of vinylidenes and vinyl compounds, and reveal conversion of cumulenes to the thermodynamically more stable enynes. (C) 2007 Elsevier B.V. All rights reserved.
• Five-Coordinate 16-Electron Carbene- and Vinylideneruthenium(II) Complexes Prepared from [RuCl₂(C₈H₁₂)]<i>_n</i> or from the New Dihydridoruthenium(IV) Compound [RuH₂Cl₂(P<i>ⁱ</i>Pr₃)₂]
  作者：Claus Grünwald、Olaf Gevert、Justin Wolf、Pablo González-Herrero、Helmut Werner

  DOI：10.1021/om9509554

  日期：1996.4.16

  The dihydridoruthenium(IV) compound [RuH2 Cl-2((PPr3)-Pr-i)(2)] (2), which is obtained on treatment of [RuCl2(C8H12)](n) with (PPr3)-Pr-i in 2-butanol. in the presence of H-2, reacts with PhC=CH in CH2Cl2 at 25 degrees C to give a mixture of [RuCI2(=C=CHPh)((PPr3)-Pr-i)(2)] (4) and [RuCl2(=CHCH(2)Ph)((PPr3)-Pr-i)(2)] (5) Both complexes 4 and 5 as well as the methylcarbene derivative [RuCl2(=CHCH3)((PPr3)-Pr-i)(2)] (6) have been isolated; moreover, compounds 2 and 5 have been characterized by X-ray crystal structure analyses.