cis-[Ru(2,2':6',2''-terpyridine)(4-carboxy-4'-methyl-2,2'-bipyridine)Cl][PF6]*CH3CN | 329686-50-2

• 英文名称: cis-[Ru(2,2':6',2''-terpyridine)(4-carboxy-4'-methyl-2,2'-bipyridine)Cl][PF6]*CH3CN
• CAS: 329686-50-2
• 化学式: C₂H₃N*C₂₇H₂₁ClN₅O₂Ru*F₆P
• 分子量: 770.036
• InChiKey: ZCJLIJKZPNLEIE-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：

  trans-[Ru(2,2':6',2''-terpyridine)(4-carboxy-4'-methyl-2,2'-bipyridine)Cl][PF6] 、 cis-[Ru(2,2':6',2''-terpyridine)(4-carboxy-4'-methyl-2,2'-bipyridine)Cl][PF6]*CH3CN 、 (2S,4S)-1-叔丁基 2-甲基 4-氨基吡咯烷-1,2-二甲酸酯盐酸盐 在 1-hydroxybenzotriazole 、 N-methylmorpholine 、 4-(dimethylamino)pyridine 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 trans-(2S,4S)-1-(tert-butoxycarbonyl)-4-[1-(chloro(2,2':6',2''-terpyridine)-ruthenium(II)io)-4'-methyl-2,2'-bipyridine-4-carboxamido]-L-proline methyl ester hexafluorophosphate 、 trans-(2S,4S)-1-(tert-butoxycarbonyl)-4-[1-(chloro(2,2':6',2''-terpyridine)-ruthenium(II)io)-4'-methyl-2,2'-bipyridine-4-carboxamido]-L-proline methyl ester hexafluorophosphate
  参考文献：
  名称：

  Separation of Positional Isomers of Oxidation Catalyst Precursors

  摘要：

  A series of polypyridyl ruthenium complexes of the general formula [Ru(tpy)(bpy')Cl](+) where tpy is 2,2':6',2 " -terpyridine and bpy' is 4-carboxy-4'-methyl-2,2'-bipyridine (4-CO2H-4'-Mebpy), a proline derivative (4-CO-Pra-(Boc)(OMe)-4'-Mebpy), or 4-((diethoxyphosphinyl)methyl)-4'-methyl (4-CH2PO3Et2-4'-Mebpy) are prepared. Fog each complex, two isomers exist, and these are separated chromatographically. The structure of the hexafluorophosphate salt of cis-[Ru(tpy)(4-CO2H-4'-Mebpy)Cl](+), cis-1, is determined by X-ray crystallography. The salt crystallizes in the monoclinic space group Cc with a = 12.4778(6) Angstrom, b = 12.6086(6) Angstrom, c = 20.1215(9) Angstrom, beta 107.08200(1)degrees, Z = 4, R = 0.058, and R-w = 0.072. The structures of the remaining complexes are assigned by H-1 NMR comparisons with cis-1. The complexes are potentially important precursors for the incorporation of Ru-IV=O2+ oxidants into polymers or peptides or for their adsorption onto oxide surfaces. Preliminary electrochemical results for the isomers of [Ru(tpy)(4-CH2PO3H2-4'-Mebpy)(H2O)](2+), 4, adsorbed on ITO (In2O3:Sn) surfaces add support to a recently proposed electron-transfer mechanism involving cross-surface proton-coupled electron transfer.

  DOI：

  10.1021/ic9911724
• 作为产物：
  描述：

  ammonium hexafluorophosphate 、 Ru(tpy)(Cl)₃ 、 4'-甲基-2,2'-联吡啶-4-甲酸 在 HCl 作用下， 以 甲醇 、 水 为溶剂， 生成 trans-[Ru(2,2':6',2''-terpyridine)(4-carboxy-4'-methyl-2,2'-bipyridine)Cl][PF6] 、 cis-[Ru(2,2':6',2''-terpyridine)(4-carboxy-4'-methyl-2,2'-bipyridine)Cl][PF6]*CH3CN
  参考文献：
  名称：

  Separation of Positional Isomers of Oxidation Catalyst Precursors

  摘要：

  A series of polypyridyl ruthenium complexes of the general formula [Ru(tpy)(bpy')Cl](+) where tpy is 2,2':6',2 " -terpyridine and bpy' is 4-carboxy-4'-methyl-2,2'-bipyridine (4-CO2H-4'-Mebpy), a proline derivative (4-CO-Pra-(Boc)(OMe)-4'-Mebpy), or 4-((diethoxyphosphinyl)methyl)-4'-methyl (4-CH2PO3Et2-4'-Mebpy) are prepared. Fog each complex, two isomers exist, and these are separated chromatographically. The structure of the hexafluorophosphate salt of cis-[Ru(tpy)(4-CO2H-4'-Mebpy)Cl](+), cis-1, is determined by X-ray crystallography. The salt crystallizes in the monoclinic space group Cc with a = 12.4778(6) Angstrom, b = 12.6086(6) Angstrom, c = 20.1215(9) Angstrom, beta 107.08200(1)degrees, Z = 4, R = 0.058, and R-w = 0.072. The structures of the remaining complexes are assigned by H-1 NMR comparisons with cis-1. The complexes are potentially important precursors for the incorporation of Ru-IV=O2+ oxidants into polymers or peptides or for their adsorption onto oxide surfaces. Preliminary electrochemical results for the isomers of [Ru(tpy)(4-CH2PO3H2-4'-Mebpy)(H2O)](2+), 4, adsorbed on ITO (In2O3:Sn) surfaces add support to a recently proposed electron-transfer mechanism involving cross-surface proton-coupled electron transfer.

  DOI：

  10.1021/ic9911724