2-methylcupferrate

• 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: 2-methylcupferrate
• 英文别名: N-nitroso-N-(2-methylphenyl)hydroxylamine；azane;N-hydroxy-N-(2-methylphenyl)nitrous amide
• 化学式: C₇H₈N₂O₂*H₃N
• 分子量: 169.183
• InChiKey: JFAHDHDOMLDRQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.03
• 重原子数：
  12.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  87.9
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-methylcupferrate 以 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 生成 carbonyl tris(4-tolyl)phosphine (O,O′-(N-nitroso-N-oxido-(2-tolyl)-amine))rhodium(I) 、 carbonyl tris(4-tolyl)phosphine (O,O′-(N-nitroso-N-oxido-(2-tolyl)-amine))rhodium(I)
  参考文献：
  名称：

  Synthesis and characterization of rhodium(I) 2-methylcupferrate complexes and their kinetic behaviour in iodomethane oxidative addition

  摘要：

  A number of substituted monocarbonyl complexes [Rh(MeCupf)(CO)(PR3)] (where R - Ph, p-MeOph, p-Tol, o-Tol and Cy, MeCupf = N-nitroso-N-(2-methylphenyl) hydroxylaminato bidentate ligand) have been prepared from [Rh(MeCupf)(CO)(2)] and identified by IR, UV/visible and NMR techniques. The kinetics and mechanism for the oxidative addition of iodomethane to [Rh(MeCupf)(CO)(PR3)] complexes have been investigated through the variation of steric and electronic effects of the phosphine ligands, as well as through varying the solvent and temperature. The Rh-III-alkyl complex was the primary species formed as a result of oxidative addition, followed by a consecutive slower formation of the Rh-III-acyl species by carbonyl-insertion. A detailed mechanism is discussed. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2012.12.005
• 作为产物：
  描述：

  N-羟基-2-甲苯胺 在 亚硝酸丁酯 、 氨 作用下， 以 乙醚 为溶剂， 生成 2-methylcupferrate
  参考文献：
  名称：

  SYNTHESIS AND SPECTRAL DATA OF SOME NEW N-NITROSO-N-PHENYLHYDROXYLAMINE (CUPFERRON) DERIVATIVES

  摘要：

  DOI：

  10.1080/00304949809355306