fac,cis-[(CH3CH2CH2N(CH2CH2PPh2)2)RuCl2(CCHC(CH3)CH2)]

• 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: fac,cis-[(CH3CH2CH2N(CH2CH2PPh2)2)RuCl2(CCHC(CH3)CH2)]
• 化学式: C₃₆H₄₁Cl₂NP₂Ru
• 分子量: 721.652
• InChiKey: RVNZEMNADDZWEU-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  8.41
• 重原子数：
  42
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  fac,cis-[(CH3CH2CH2N(CH2CH2PPh2)2)RuCl2(CCHC(CH3)CH2)] 、 重氧水 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Selective Cα–Cβ bond cleavage by water in allenylidene and alkenylvinylidene ruthenium complexes

  摘要：

  该Ru(II)配合物mer,trans-[(PNP)RuCl2(PPh3)] [PNP = MeCH2CH2N(CH2CH2PPh2)2] 在THF回流条件下与丙炔醇HCCCRR'OH（R = R' = Me, Ph; R = Me, R' = Ph）反应，生成allenylidene配合物fac,cis-[(PNP)RuCl2{CCCPh2}]或alkenylvinylidene衍生物fac,cis-[(PNP)RuCl2{CC(H)C(R)CH2}]（R = Me, Ph）；将这些配合物在CH2Cl2或THF中与水处理，会通过选择性Cα–Cβ键断裂生成铑羰基fac,cis-[(PNP)RuCl2(CO)]和自由烯烃H2CCRR'（R = R' = Me, Ph; R = Me, R' = Ph）。

  DOI：

  10.1039/a900011i
• 作为产物：
  描述：

  mer,trans-[(CH3CH2CH2N(CH2CH2PPh2)2)RuCl2(PPh3)] 、 2-甲基-3-丁炔-2-醇 以 四氢呋喃 为溶剂， 生成 fac,cis-[(CH3CH2CH2N(CH2CH2PPh2)2)RuCl2(CCHC(CH3)CH2)]
  参考文献：
  名称：

  Selective Cα–Cβ bond cleavage by water in allenylidene and alkenylvinylidene ruthenium complexes

  摘要：

  该Ru(II)配合物mer,trans-[(PNP)RuCl2(PPh3)] [PNP = MeCH2CH2N(CH2CH2PPh2)2] 在THF回流条件下与丙炔醇HCCCRR'OH（R = R' = Me, Ph; R = Me, R' = Ph）反应，生成allenylidene配合物fac,cis-[(PNP)RuCl2{CCCPh2}]或alkenylvinylidene衍生物fac,cis-[(PNP)RuCl2{CC(H)C(R)CH2}]（R = Me, Ph）；将这些配合物在CH2Cl2或THF中与水处理，会通过选择性Cα–Cβ键断裂生成铑羰基fac,cis-[(PNP)RuCl2(CO)]和自由烯烃H2CCRR'（R = R' = Me, Ph; R = Me, R' = Ph）。

  DOI：

  10.1039/a900011i

文献信息

• Ruthenium-assisted synthesis of gem-deuterated alkenes from monosubstituted propargyl alcohols and D2O
  作者：Claudio Bianchini、Isaac de los Rios、Carlos Lopez、Maurizio Peruzzini、Antonio Romerosa

  DOI：10.1016/s0022-328x(99)00324-1

  日期：2000.1

  The cyclohexenylvinylidene complex fac,cis-[(PNP)RuCl2C=CH(C=CHCH2CH2CH2CH2)}] (2) is synthesized by reaction of mer, trans-[(PNP)RuCl2(PPh3)] (1) with 1-ethynylcyclohexanol [PNP=CH3CH2CH2N(CH2CH2PPh2)(2)]. Complex 2 reacts with water yielding fac,cis-[(PNP)RuCl2(CO)] and methylenecyclohexane. The regioselective incorporation of deuterium from D2O into the methylene group of methylenecyclohexane is consistent with the intermediacy of an eta(1)-allyl ruthenium complex along the metal-assisted hydrolysis of the vinylidene C-C bond. The hydrolysis of the alkenylvinylidenes fac,cis-[(PNP)RuCl2C=CHCR=CH2}] (R = Me, Ph) proceeds similarly but the regioselectivity of deuterium incorporation depends on the temperature due to eta(1) double left right arrow eta(3) allyl interconversion. (C) 2000 Elsevier Science S.A. All rights reserved.
• Selective Cα–Cβ bond cleavage by water in allenylidene and alkenylvinylidene ruthenium complexes
  作者：Claudio Bianchini、Maurizio Peruzzini、Fabrizio Zanobini、Carlos Lopez、Isaac de los Rios、Antonio Romerosa

  DOI：10.1039/a900011i

  日期：——

  The Ru(II) complex mer,trans-[(PNP)RuCl2(PPh3)] [PNP = MeCH2CH2N(CH2CH2PPh2)2] reacts in refluxing THF with propargyl alcohols HCCCRR′OH (R = R′ = Me, Ph; R = Me, R′ = Ph) yielding either the allenylidene complex fac,cis-[(PNP)RuCl2CCCPh2}] or the alkenylvinylidene derivatives fac,cis-[(PNP)RuCl2CC(H)C(R)CH2}] (R = Me, Ph); treatment of all these complexes in CH2Cl2 or THF with water results in the formation of the ruthenium carbonyl fac,cis-[(PNP)RuCl2(CO)] and free alkenes H2CCRR′ (R = R′ = Me, Ph; R = Me, R′ = Ph) via regioselective Cα–Cβ bond cleavage.

  该Ru(II)配合物mer,trans-[(PNP)RuCl2(PPh3)] [PNP = MeCH2CH2N(CH2CH2PPh2)2] 在THF回流条件下与丙炔醇HCCCRR'OH（R = R' = Me, Ph; R = Me, R' = Ph）反应，生成allenylidene配合物fac,cis-[(PNP)RuCl2CCCPh2}]或alkenylvinylidene衍生物fac,cis-[(PNP)RuCl2CC(H)C(R)CH2}]（R = Me, Ph）；将这些配合物在CH2Cl2或THF中与水处理，会通过选择性Cα–Cβ键断裂生成铑羰基fac,cis-[(PNP)RuCl2(CO)]和自由烯烃H2CCRR'（R = R' = Me, Ph; R = Me, R' = Ph）。