[RuCl(CO)(PPh3)2(CH=CHCH=CHC6H4-NO2-p)] | 922528-79-8

• 英文名称: [RuCl(CO)(PPh3)2(CH=CHCH=CHC6H4-NO2-p)]
• CAS: 922528-79-8
• 化学式: C₄₇H₃₈ClNO₃P₂Ru
• 分子量: 863.294
• InChiKey: DRJABRMSCMXTPA-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：

  [RuCl(CO)(PPh3)2(CH=CHCH=CHC6H4-NO2-p)] 、 三吡唑啉基硼氢钾 以 二氯甲烷 为溶剂， 以87%的产率得到[Ru(hydridotris(pyrazolyl)borate)(CO)(PPh3)(CH=CHCH=CHC6H4-NO2-p)]
  参考文献：
  名称：

  Synthesis and Second-Order NLO Properties of Donor−Acceptor σ-Alkenyl Ruthenium Complexes

  摘要：

  The compounds p-R-C(6)H(4)-CHCH-CC-TMS (R = NO(2), N(CH(3))(2), OCH(3)) were obtained from Wittig olefination of TMS-CC-CH(2)PPh(3)Br with p-R-C(6)H(4)-CHO in THF, which can be desilylated to give p-R-C(6)H(4)-CHCH-CC-H. Treatment of RuHCl(CO)(PPh(3))(3) with p-R-C(6)H(4)-CHCH-CC-H produced RuCl(CO)(PPh(3))(2)(CHCH-CHCH-C(6)H(4)-R-p). The later complexes reacted with 4-phenylpyridine (PhPy), 2,6-(Ph(2)PCH(2))(2)C(5)H(3)N (PMP), and KTp (Tp = hydridotris(pyrazolyl)borate) to give RuCl(CO)(PhPy)(PPh(3))(2) (CHCH-CHCH-C(6)H(4)-R-p), RuCl(CO)(PMP)(CHCH-CHCH-C(6)H(4)-R-p), and RuTp(CO)(PPh(3)) (CHCH-CHCH-C(6)H(4)-R-p), respectively. The structure of RuTp(CO)(PPh(3))(CHCH-CHCH-C(6)H(4)-R-p) (R = N(CH(3))(2), 7b) has been confirmed by X-ray diffraction. The NLO properties (hyper-Rayleigh scattering measurements) of the complexes 5, 6, and 7 reveal that changes induced in the ligands of ruthenium (5a-7a or 5b,6b) have a large impact on the hyperpolarizability.

  DOI：

  10.1021/om0605736
• 作为产物：
  描述：

  [RuHCl(CO)(PPh₃)₃] 、 1-[(E)-but-1-en-3-ynyl]-4-nitrobenzene 以48.3%的产率得到[RuCl(CO)(PPh3)2(CH=CHCH=CHC6H4-NO2-p)]
  参考文献：
  名称：

  Synthesis and Second-Order NLO Properties of Donor−Acceptor σ-Alkenyl Ruthenium Complexes

  摘要：

  The compounds p-R-C(6)H(4)-CHCH-CC-TMS (R = NO(2), N(CH(3))(2), OCH(3)) were obtained from Wittig olefination of TMS-CC-CH(2)PPh(3)Br with p-R-C(6)H(4)-CHO in THF, which can be desilylated to give p-R-C(6)H(4)-CHCH-CC-H. Treatment of RuHCl(CO)(PPh(3))(3) with p-R-C(6)H(4)-CHCH-CC-H produced RuCl(CO)(PPh(3))(2)(CHCH-CHCH-C(6)H(4)-R-p). The later complexes reacted with 4-phenylpyridine (PhPy), 2,6-(Ph(2)PCH(2))(2)C(5)H(3)N (PMP), and KTp (Tp = hydridotris(pyrazolyl)borate) to give RuCl(CO)(PhPy)(PPh(3))(2) (CHCH-CHCH-C(6)H(4)-R-p), RuCl(CO)(PMP)(CHCH-CHCH-C(6)H(4)-R-p), and RuTp(CO)(PPh(3)) (CHCH-CHCH-C(6)H(4)-R-p), respectively. The structure of RuTp(CO)(PPh(3))(CHCH-CHCH-C(6)H(4)-R-p) (R = N(CH(3))(2), 7b) has been confirmed by X-ray diffraction. The NLO properties (hyper-Rayleigh scattering measurements) of the complexes 5, 6, and 7 reveal that changes induced in the ligands of ruthenium (5a-7a or 5b,6b) have a large impact on the hyperpolarizability.

  DOI：

  10.1021/om0605736