[(Ru(η5-cyclopentadienyl)(κ3(P,C,C)-allyldiphenylphosphane)(MeCN)](PF6) | 956499-79-9

• 英文名称: [(Ru(η5-cyclopentadienyl)(κ3(P,C,C)-allyldiphenylphosphane)(MeCN)](PF6)
• 英文别名: [Ru(η5-C5H5)(MeCN)(κ3(P,C,C)-Ph2PCH2CH=CH2)][PF6]
• CAS: 956499-79-9
• 化学式: C₂₂H₂₃NPRu*F₆P
• 分子量: 578.439
• InChiKey: AMZLBTWYIKCSND-UHFFFAOYSA-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：

  2-苯基-3-丁炔-2-醇 、 [(Ru(η5-cyclopentadienyl)(κ3(P,C,C)-allyldiphenylphosphane)(MeCN)](PF6) 以 四氢呋喃 为溶剂， 以70%的产率得到[(Ru(η5-cyclopentadienyl)(κ(P),η4-(2Z)-Ph2PCH2CHCHC(CPhMeOH)CH2)](PF6)
  参考文献：
  名称：

  Regioselective Synthesis of η⁴-Dienylphosphane Ruthenium Complexes by Oxidative Coupling Reactions

  摘要：

  Complexes [Ru(eta(5)-C5H5){kappa(3)(P,C,C)-Ph2P(CH2)(n)CH=CH2}(MeCN)][PF6] (n = 1 (1), 2 (2)) react with C C bonds of propargylic alcohols to yield regioselectively the complexes [Ru(eta(5)-C5H5){kappa(P),eta(4)-Ph2P(CH2)(n)CH=CHC(R)=CH2}][PF6] (n = 1, R = CPh2OH (3), C(C12H8)OH (4), C(C4H8)OH (5), CMePhOH (6a, 6b); n = 2, R = CPh2OH (7), C(C4H8)OH (8), CMePhOH (9a, 9b), CHPhOH (10a, 10b)). The reaction of complex 1 with terminal alkynes also leads regio selectively to the complexes [Ru(eta(5)-C5H5){kappa(P),eta(4)-(2Z,4E)-Ph(2)pcH(2)CH=CHCH=CH(R)}][PF6] (R = Ph (11), p-MeC6H4 (12)). Single-crystal X-ray diffraction analyses for complexes 9a, 9b, 10b, and 12 have been carried out and allow the unambiguous assignment of the stereochemistry of the complexes. DFT calculations regarding the thermodynamic stability of the obtained products have also been performed.

  DOI：

  10.1021/om700476f
• 作为产物：
  描述：

  cyclopentadienylruthenium(II) trisacetonitrile hexafluorophosphate 、 烯丙基二苯基膦 以 二氯甲烷 为溶剂， 以77%的产率得到[(Ru(η5-cyclopentadienyl)(κ3(P,C,C)-allyldiphenylphosphane)(MeCN)](PF6)
  参考文献：
  名称：

  Regioselective Synthesis of η⁴-Dienylphosphane Ruthenium Complexes by Oxidative Coupling Reactions

  摘要：

  Complexes [Ru(eta(5)-C5H5){kappa(3)(P,C,C)-Ph2P(CH2)(n)CH=CH2}(MeCN)][PF6] (n = 1 (1), 2 (2)) react with C C bonds of propargylic alcohols to yield regioselectively the complexes [Ru(eta(5)-C5H5){kappa(P),eta(4)-Ph2P(CH2)(n)CH=CHC(R)=CH2}][PF6] (n = 1, R = CPh2OH (3), C(C12H8)OH (4), C(C4H8)OH (5), CMePhOH (6a, 6b); n = 2, R = CPh2OH (7), C(C4H8)OH (8), CMePhOH (9a, 9b), CHPhOH (10a, 10b)). The reaction of complex 1 with terminal alkynes also leads regio selectively to the complexes [Ru(eta(5)-C5H5){kappa(P),eta(4)-(2Z,4E)-Ph(2)pcH(2)CH=CHCH=CH(R)}][PF6] (R = Ph (11), p-MeC6H4 (12)). Single-crystal X-ray diffraction analyses for complexes 9a, 9b, 10b, and 12 have been carried out and allow the unambiguous assignment of the stereochemistry of the complexes. DFT calculations regarding the thermodynamic stability of the obtained products have also been performed.

  DOI：

  10.1021/om700476f

文献信息

• Ruthenium-Mediated Cyclometalation Reactions of Allene and Allylphosphine C═C Bonds: Synthesis of κ(<i>P</i>),η⁴-(Hexa-2,5-dien-1-yl)diphenylphosphine–Ruthenium(II) Complexes
  作者：Amparo Villar、Josefina Díez、Elena Lastra、M. Pilar Gamasa

  DOI：10.1021/om200668h

  日期：2011.11.14

  [Ru(η5-C5H5)(MeCN)κ3(P,C,C)-Ph2PCH2CH═CH2}][PF6] (1) reacts with allenes, giving regioselectively the η2-allene complexes [Ru(η5-C5H5)(MeCN)κ(P)-Ph2PCH2CH═CH2}(η2-CH2═C═CR1R2)][PF6] [R1 = R2 = Me (3); R1 = H, R2 = Ph (4); R1R2 = −(CH2)5– (5)]. On the other hand, the reaction of the pentamethylcyclopentadienyl-containing complex [Ru(η5-C5Me5)(MeCN)κ3(P,C,C)-Ph2PCH2CH═CH2}][OTf] (2) with allenes yields regio-

  含环戊二烯基配合物的[Ru（η 5 -C 5 H ^ 5）（MeCN中）κ 3（P，Ç，Ç）-Ph 2 PCH 2 CH = CH 2 }] [PF 6 ]（1）反应以丙二烯，给区域选择性的η 2 -allene络合物的[Ru（η 5 -C 5 H ^ 5）（MeCN中）κ（P）-Ph 2 PCH 2 CH = CH 2 }（η 2 -CH 2 ═C═CR 1 - [R 2）] [PF6 ] [R 1 = R 2 = Me（3）; R 1＝ H，R 2＝ Ph（4）；R 1 R 2 =-（CH 2）5 –（5）]。在另一方面，含五甲基环戊二烯配合物的[Ru（η的反应5 -C 5我5）（MeCN中）κ 3（P，Ç，Ç）-Ph 2 PCH 2 CH = CH 2 }] [光学传递函数]（2）与丙二烯的产率区域选择性和立体选择性的复合物的[Ru（η 5 -C 5我5）κ（P），η 4 -Ph