trans-{Ru(2,6-Me2C6H3NC)4Cl2} | 155975-55-6

• 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: trans-{Ru(2,6-Me2C6H3NC)4Cl2}
• 英文别名: 2-isocyano-1,3-dimethylbenzene;ruthenium(2+);dichloride
• CAS: 155975-55-6
• 化学式: C₃₆H₃₆Cl₂N₄Ru
• 分子量: 696.685
• InChiKey: MWWLBQLIZPIOKG-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  5.42
• 重原子数：
  43
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  17.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  trans-{Ru(2,6-Me2C6H3NC)4Cl2} 以 neat (no solvent) 为溶剂， 生成 cis-[RuCl2(2,6-xylylisocyanide)2]
  参考文献：
  名称：

  Preparation of [Ru(η⁶-C₆Me₆)Cl(CCPh)(RNC)](R = C₈H₉or C₆H₂Me₃-2,4,6) and its reaction with tetracyanoethylene. Crystal structures of [Ru(η⁶-C₆Me₆)Cl{C[C(CN)₂]CPhC(CN)₂}(C₈H₉NC)] and cis-[RuCl₂(C₈H₉NC)₂]

  摘要：

  Reaction of [Ru(eta(6)-C(6)Me(6))Cl-2(RNC)] with phenylacetylene in the presence of potassium hydroxide in methanol gave the corresponding acetylide complex [Ru(eta(6)-C(6)Me(6))Cl(C=CPh)(RNC)] (R = C8H9 1a or 2,4,6-Me(3)C(6)H(2) 1b). Compound la reacted with triphenylphosphine at reflux in toluene to give [RU(eta(6)-C(6)Me(6))Cl(C=CPh)(PPh(3))] 2 and [RUCl(C=CPh)(C8H9NC)(PPh(3))] 3. When 1a was treated with tetracyanoethylene (tcne) at room temperature [Ru(eta(6)-C(6)Me(6))Cl{C[=C(CN)(2)]CPh=C(CN)(2)}(C8H9NC)] 4 was obtained. The structure was confirmed by an X-ray analysis: space group Pbca, a = 20.128(4), b = 17.821(6), c = 17.407(9) Angstrom, and Z = 8. The molecule contains a ligand resulting from alpha,beta addition. of C(CN)(2) fragments to the acetylide group. Reaction of 2 with tcne gave [RU(eta(6)-C(6)Me(6))Cl{C(CN)(2)CPhC=C(CN)(2)}] 5 which has lost the terminal isocyanide in 4. Preparation and X-ray analysis of square-planar cis-[RuCl2(C8H9NC)(2)] were also carried out: space group P ($) over bar 1, a = 10.573(3), b = 10.865(3), c = 8.244(2) Angstrom, alpha = 99.66(2), beta = 93.37(2). gamma = 85.85(3)degrees and Z = 2. The structure consists of a pair of molcules of cis configuration with a centrosymmetry, but there is no interaction between the ruthenium atoms.

  DOI：

  10.1039/dt9950000307

文献信息

• Corella, Joseph A. II; Thompson, Robert L.; Cooper, N. John, Angewandte Chemie, 1992, vol. 104, p. 55 - 57
  作者：Corella, Joseph A. II、Thompson, Robert L.、Cooper, N. John

  DOI：——

  日期：——