N-(diphenylphosphineoxide)nicotinamide | 823838-01-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N-(diphenylphosphineoxide)nicotinamide
• 英文别名: 2-Pyridinecarboxamide, N-(diphenylphosphinyl)-；N-diphenylphosphorylpyridine-2-carboxamide
• CAS: 823838-01-3
• 化学式: C₁₈H₁₅N₂O₂P
• 分子量: 322.303
• InChiKey: SAMKKGCOYCYWLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  59.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [bis(2,4,4,9-tetramethyl-1,5,9-triazacyclododec-1-ene)bis(μ-hydroxo)dinickel(II)] hexafluorophosphate 、 N-(diphenylphosphineoxide)nicotinamide 以 丙酮 为溶剂， 以83%的产率得到[(2,4,4,9-tetramethyl-1,5,9-triazacyclododec-1-ene)Ni(OP(Ph2)NC(3-Py)O)]PF6
  参考文献：
  名称：

  Spectroscopic and structural characterization of O,O′-(diphenylphosphineoxide)amidate and acetylacetonate complexes of pentacoordinate nickel(II)

  摘要：

  Heteroleptic nickel pentacoordinate complexes with the macrocyclic ligands 2,4,4-trimethyl-1,5,9-triazacyclododec-1-ene (Me-3-mcN(3)) or its 9-methyl derivative (Me-4-mcN(3)), as ancillary ligands, and O,O'-(diphenylphosphineoxide) amidate ligands, [RC(O)NP(O)Ph-2] (R = C6H6 (1), C5H4N (2), C4H3S (3)), have been prepared as well as related acetylacetonate derivatives. The complexes have been studied by spectroscopic methods (IR, UV-Vis and H-1 NMR). In acetone solution, the complexes exhibit isotropically shifted H-1 NMR resonances. The full assignment of these resonances has been achieved using one- and two-dimensional H-1 NMR techniques. The single-crystal structures of {(Me-4-mcN(3)) Ni[OP(Ph-2)NC(Tf)O]}[PF6] (9) and {(Me-3-mcN(3))Ni(acac)}[PF6] (10) have been established by X-ray diffraction. (C) 2008 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.09.075

文献信息

• Spectroscopic and structural characterization of O,O′-(diphenylphosphineoxide)amidate and acetylacetonate complexes of pentacoordinate nickel(II)
  作者：Rocío García-Bueno、M. Dolores Santana、Gregorio Sánchez、Joaquín García、Gabriel García、José Pérez、Luís García

  DOI：10.1016/j.jorganchem.2008.09.075

  日期：2009.2

  Heteroleptic nickel pentacoordinate complexes with the macrocyclic ligands 2,4,4-trimethyl-1,5,9-triazacyclododec-1-ene (Me-3-mcN(3)) or its 9-methyl derivative (Me-4-mcN(3)), as ancillary ligands, and O,O'-(diphenylphosphineoxide) amidate ligands, [RC(O)NP(O)Ph-2] (R = C6H6 (1), C5H4N (2), C4H3S (3)), have been prepared as well as related acetylacetonate derivatives. The complexes have been studied by spectroscopic methods (IR, UV-Vis and H-1 NMR). In acetone solution, the complexes exhibit isotropically shifted H-1 NMR resonances. The full assignment of these resonances has been achieved using one- and two-dimensional H-1 NMR techniques. The single-crystal structures of (Me-4-mcN(3)) Ni[OP(Ph-2)NC(Tf)O]}[PF6] (9) and (Me-3-mcN(3))Ni(acac)}[PF6] (10) have been established by X-ray diffraction. (C) 2008 Elsevier B. V. All rights reserved.