2-diphenylphosphanylethyl(diphenyl)phosphane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+);trifluoromethanesulfonate | 171918-16-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: 2-diphenylphosphanylethyl(diphenyl)phosphane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+);trifluoromethanesulfonate
• CAS: 171918-16-4
• 化学式: CF₃O₃S*C₃₆H₃₉P₂Ru
• 分子量: 783.794
• InChiKey: AKSQTSSPLYNGNP-UHFFFAOYSA-M

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-diphenylphosphanylethyl(diphenyl)phosphane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+);trifluoromethanesulfonate 、 氯 以 硝基甲烷 为溶剂， 生成
  参考文献：
  名称：

  Oxidative addition of O2, Cl2, NO, NO+ and H2 to [Ru(ν5-C5Me5) (Ph2PCH2CH2PPh2)]+ : X-ray structures of [Ru(C1)2(ν5-C5Me5)(Ph2PCH2CH2PPh2]+ and [Ru(NO)(ν5-C5Me5)(Ph2PCH2CH2PPh2]2+

  摘要：

  Treatment of Ru(eta(5)-C(5)Me(5)) (dppe) Cl (1) (dppe=Ph(2)PCH(2)CH(2)PPh(2)) with Ag+ (as the PF6- or CF3SO3- salt) in CH3NO2 as the solvent yields the 16-electron complex [Ru(eta(5)-C(5)Me(5)) (dppe)](+) (2) in quantitative yield. Complex 2 reacts with O-2, Cl-2, NO, NO+ and H-2 to form the cationic Ru(IV) complexes [Ru(eta(2)-O-2) (eta(5)-C(5)Me(5)) (dppe)](+) (3), [Ru(Cl)(2)(eta(5)-C(5)Me(5)) (dppe)](+) (4), [Ru(NO)(eta(5)-C(5)Me(5)) (dppe)](2+) (5) and [Ru(H)(2)(eta(5)-C(5)Me(5)) (dppe)](+) (6) in good yields. The crystal structures of 4b (CF3SO3- salt) and 5b (CF3SO3- salt) have been determined by X-ray diffraction techniques. 4b crystallizes in the triclinic space group P ($) over bar 1 (No. 2), with a=12.215(4), b=12.593(5), c=14.422(4) Angstrom, alpha=76.45(2), beta=79.83(2), gamma=84.64(2)degrees, V=2119.7(12) Angstrom(3), Z=2. The structure was refined to R(F)=0.0418 (F greater than or equal to 4 sigma F). 5b crystallizes in the monoclinic space group P2(1)/n, with a=12.679(4), b=12.269(5), c=27.658(9)Angstrom, beta=90.36(1)degrees, V=4302(3) Angstrom(3), Z=4. The structure was refined to R(F)=0.0511 (F greater than or equal to 4 sigma F).

  DOI：

  10.1016/0020-1693(95)04620-o
• 作为产物：
  描述：

  pentamethylcyclopentadienyl(1,2-bis(diphenylphosphino)ethane)chlororuthenium(II) 、 silver trifluoromethanesulfonate 以 硝基甲烷 为溶剂， 以>99的产率得到2-diphenylphosphanylethyl(diphenyl)phosphane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+);trifluoromethanesulfonate
  参考文献：
  名称：

  Oxidative addition of O2, Cl2, NO, NO+ and H2 to [Ru(ν5-C5Me5) (Ph2PCH2CH2PPh2)]+ : X-ray structures of [Ru(C1)2(ν5-C5Me5)(Ph2PCH2CH2PPh2]+ and [Ru(NO)(ν5-C5Me5)(Ph2PCH2CH2PPh2]2+

  摘要：

  Treatment of Ru(eta(5)-C(5)Me(5)) (dppe) Cl (1) (dppe=Ph(2)PCH(2)CH(2)PPh(2)) with Ag+ (as the PF6- or CF3SO3- salt) in CH3NO2 as the solvent yields the 16-electron complex [Ru(eta(5)-C(5)Me(5)) (dppe)](+) (2) in quantitative yield. Complex 2 reacts with O-2, Cl-2, NO, NO+ and H-2 to form the cationic Ru(IV) complexes [Ru(eta(2)-O-2) (eta(5)-C(5)Me(5)) (dppe)](+) (3), [Ru(Cl)(2)(eta(5)-C(5)Me(5)) (dppe)](+) (4), [Ru(NO)(eta(5)-C(5)Me(5)) (dppe)](2+) (5) and [Ru(H)(2)(eta(5)-C(5)Me(5)) (dppe)](+) (6) in good yields. The crystal structures of 4b (CF3SO3- salt) and 5b (CF3SO3- salt) have been determined by X-ray diffraction techniques. 4b crystallizes in the triclinic space group P ($) over bar 1 (No. 2), with a=12.215(4), b=12.593(5), c=14.422(4) Angstrom, alpha=76.45(2), beta=79.83(2), gamma=84.64(2)degrees, V=2119.7(12) Angstrom(3), Z=2. The structure was refined to R(F)=0.0418 (F greater than or equal to 4 sigma F). 5b crystallizes in the monoclinic space group P2(1)/n, with a=12.679(4), b=12.269(5), c=27.658(9)Angstrom, beta=90.36(1)degrees, V=4302(3) Angstrom(3), Z=4. The structure was refined to R(F)=0.0511 (F greater than or equal to 4 sigma F).

  DOI：

  10.1016/0020-1693(95)04620-o