{nitrido tetrakis(trimethylsiloxy)ruthenium(VI)}{tetra-n-butylammonium} | 102649-19-4

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: {nitrido tetrakis(trimethylsiloxy)ruthenium(VI)}{tetra-n-butylammonium}
• CAS: 102649-19-4
• 化学式: C₁₂H₃₆NO₄RuSi₄*C₁₆H₃₆N
• 分子量: 714.303
• InChiKey: VEIVVXPHQFPPFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.22
• 重原子数：
  39.0
• 可旋转键数：
  16.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  60.71
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  {nitrido tetrakis(trimethylsiloxy)ruthenium(VI)}{tetra-n-butylammonium} 在 三甲基铝 作用下， 以 甲苯 为溶剂， 以20%的产率得到tetra-n-butylammonium nitridotetramethylruthenium(VI)
  参考文献：
  名称：

  钌（VI）的第一个烷基络合物[Ru（N）R4] [NBu4]的合成

  摘要：

  DOI：

  10.1021/om00138a043
• 作为产物：
  描述：

  (tetrabutylammonium){nitridotetrachlororuthenium(VI)} 、 sodium trimethylsilanolate 以 甲苯 为溶剂， 以80%的产率得到{nitrido tetrakis(trimethylsiloxy)ruthenium(VI)}{tetra-n-butylammonium}
  参考文献：
  名称：

  Shapley, Patricia A.; Kim, Hoon Sik; Wilson, Scott R., Organometallics, 1988, vol. 7, # 4, p. 928 - 933

  摘要：

  DOI：

文献信息

• Nitridoosmium(VI) and nitridoruthenium(VI) complexes of cysteine(2-) and related ligands
  作者：Joseph J. Schwab、Elizabeth C. Wilkinson、Scott R. Wilson、Patricia A. Shapley

  DOI：10.1021/ja00016a031

  日期：1991.7

  Anionic complexes of nitridoruthenium(VI) and nitridoosmium(VI) containing covalently bound N-acetyl-L-cysteinato, 3-sulfidopropionato, and 3-sulfidopropionamidato ligands have been synthesized to model the binding of delta-(L-alpha-aminoadipyl)-L-cysteinyl-D-valine to the iron center in the metalloenzyme isopenicillin N synthetase. The complexes are prepared by the reaction of N-acetyl-L-cysteine, 3-mercaptopropionic acid, and 3-mercaptopropionamide with [NBu(n)4][Os(N)(OSiMe3)4], [NBu(n)4][Os(N)Cl4], [NBu(n)4][Ru(N)(CH2SiMe3)4], or [NBu(n)4][Ru(N)(OSiMe3)4]. They have been characterized by elemental analysis and IR and NMR spectroscopy. Spectroscopic data show that the N-acetyl-L-cysteinato and 3-sulfidopropionato ligands are bound to the metal center through sulfur and oxygen, while the 3-sulfidopropionamidato ligands are bound through sulfur and nitrogen. The molecular structures of cis-[NBu(n)4][Os(N)(O2CCH2CH2S)2], [NBu(n)4][Os(N)O2CCH(NHCOCH3)CH2S}2], and [PPh4][Ru(N)(NHCOCH2CH2S)2)] were determined by single-crystal X-ray diffraction. These complexes were found to have distorted square-pyramidal geometry around the metal center. cis-[NBu(n)4][Os(N)(O2CCH2CH2S)2] crystallizes in monoclinic space group P2(1)/c with a = 13.718 (6) angstrom, b = 10.080 (3) angstrom, c = 19.890 (5) angstrom, beta = 92.16 (3) angstrom, and Z = 4. [NBu(n)4][Os(N)L-O2CCH(NHCOCH3)CH2S}2] crystallizes in monoclinic space group C2 with a = 18.371 (6) angstrom, b = 9.261 (1) angstrom, c = 21.125 (7) angstrom, beta = 102.92 (3) angstrom, and Z = 4. [PPh4][Ru(N)(NHCOCH2CH2S)2)] crystallizes in orthorhombic space group Pbca with a = 23.022 (1) angstrom, b = 16.120 (1) angstrom, c = 15.728 (1) angstrom, and Z = 8.