(N,N'-(p-CH3OC6H4)2-2,3-Me2-1,4-diaza-1,3-butadiene)Ru(CO)2(trans-Cl)2 | 245439-35-4

• 英文名称: (N,N'-(p-CH3OC6H4)2-2,3-Me2-1,4-diaza-1,3-butadiene)Ru(CO)2(trans-Cl)2
• CAS: 245439-35-4
• 化学式: C₂₀H₂₀Cl₂N₂O₄Ru
• 分子量: 524.366
• InChiKey: QUQSIJPBCSDLMS-ZGNRRVADSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  甲醇 、 (N,N'-(p-CH3OC6H4)2-2,3-Me2-1,4-diaza-1,3-butadiene)Ru(CO)2(trans-Cl)2 以 甲醇 为溶剂， 以99%的产率得到(N,N'-(p-CH3OC6H4)2-2,3-Me2-1,4-diaza-1,3-butadiene)Ru(CO)(CH3OH)(trans-Cl)2
  参考文献：
  名称：

  Comparing structures and reactivity in analogous Fe and Ru complexes. (iPr-DAB)Fe(CO)2I2 and (iPr-DAB)FeI2: a perfectly reversible CO-carrier system. (R-DAB=N,N′-R2-1,4-diaza-1,3-butadiene)

  摘要：

  Fe(Pr-i-DAB)(CO)(3) (1a) oxidatively adds I-2 to give (Pr-i-DAB)Fe(CO)(2)-trans-I-2 (Za). Photochemically or thermally, 2a readily dissociates both carbonyl ligands to give tetrahedral Fe(Pr-i-DAB)I-2 (3a). Under an atmosphere of CO, complex 2a is quantitatively regenerated from 3a. The X-ray crystal structures of 2a and 3a have been determined. 2a: triclinic, space group P (1) over bar, a = 8.7624(3). b = 9.0550(4), c = 10.6512(6) Angstrom, alpha = 95,429(4) beta = 105.245(4), gamma = 95.209(3)degrees Z = 2, R = 0.0251. 3a: orthorhombic, space group Aba2, a = 11.2693(10), b = 15.933(2), c = 7.5958(10) A, Z = 4, R = 0.036. Contrasting the behaviour of 2a, the analogous ruthenium complexes (R-DAB)Ru(CO)(2)trans-I-2 (4) are very stable, and the carbonyl ligands cannot be dissociated thermally. In the dichloro complexes. of which both the kinetic trans- (5) and the thermodynamic cis-compounds (6) have been isolated, both isomers undergo a photochemical CO mono-substitution to give for example the isolable trans-dichloro methanol complex (7). (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(99)00162-0
• 作为产物：
  描述：

  1,4-di(p-methoxyphenyl)-2,3-dimethyl-1,4-diazabutadiene 、 dicarbonyldichlororuthenium 以 甲醇 为溶剂， 以25%的产率得到(N,N'-(p-CH3OC6H4)2-2,3-Me2-1,4-diaza-1,3-butadiene)Ru(CO)2(trans-Cl)2
  参考文献：
  名称：

  Comparing structures and reactivity in analogous Fe and Ru complexes. (iPr-DAB)Fe(CO)2I2 and (iPr-DAB)FeI2: a perfectly reversible CO-carrier system. (R-DAB=N,N′-R2-1,4-diaza-1,3-butadiene)

  摘要：

  Fe(Pr-i-DAB)(CO)(3) (1a) oxidatively adds I-2 to give (Pr-i-DAB)Fe(CO)(2)-trans-I-2 (Za). Photochemically or thermally, 2a readily dissociates both carbonyl ligands to give tetrahedral Fe(Pr-i-DAB)I-2 (3a). Under an atmosphere of CO, complex 2a is quantitatively regenerated from 3a. The X-ray crystal structures of 2a and 3a have been determined. 2a: triclinic, space group P (1) over bar, a = 8.7624(3). b = 9.0550(4), c = 10.6512(6) Angstrom, alpha = 95,429(4) beta = 105.245(4), gamma = 95.209(3)degrees Z = 2, R = 0.0251. 3a: orthorhombic, space group Aba2, a = 11.2693(10), b = 15.933(2), c = 7.5958(10) A, Z = 4, R = 0.036. Contrasting the behaviour of 2a, the analogous ruthenium complexes (R-DAB)Ru(CO)(2)trans-I-2 (4) are very stable, and the carbonyl ligands cannot be dissociated thermally. In the dichloro complexes. of which both the kinetic trans- (5) and the thermodynamic cis-compounds (6) have been isolated, both isomers undergo a photochemical CO mono-substitution to give for example the isolable trans-dichloro methanol complex (7). (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(99)00162-0