Ni(PMe3)2(η(2)-PhC(N-Mes)NC(CF3)2) | 219915-30-7

• 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: Ni(PMe3)2(η(2)-PhC(N-Mes)NC(CF3)2)
• 英文别名: N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-N'-(2,4,6-trimethylphenyl)benzenecarboximidamide;nickel;trimethylphosphane
• CAS: 219915-30-7
• 化学式: C₂₅H₃₄F₆N₂NiP₂
• 分子量: 597.186
• InChiKey: DUYAXPDCGIJTGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.97
• 重原子数：
  36
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  24.7
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Ni(PMe3)2(η(2)-PhC(N-Mes)NC(CF3)2) 、 异氰酸叔丁酯 以 甲苯 为溶剂， 以99.3%的产率得到
  参考文献：
  名称：

  Nickel Complexes with Heterobutadiene Ligands

  摘要：

  The reactions of 4,4-bis(trifluoromethyl)-substituted hetero-l,a-dienes with Ni(cod)a and Ni(PMe3)(2)(cod) afford stable coordination compounds containing a trigonal planar Ni(0) center. The substitution of co-ligands by tert-butylisonitrile leads to five-membered nickelacycles by an unprecedented oxidative [4+1] cycloaddition of the hetero-1,3-diene to Ni(0) under formation of new Ni-C and Ni-O or Ni-N bonds. The nature of the resulting nickelacycloheteropentene derivatives decisively depends on the electronic and steric nature of the hetero-1,3-dienes. All compounds have been characterized by NMR, IR, or mass spectroscopy. X-ray crystal structure determinations are reported for four typical examples.

  DOI：

  10.1021/om980450o
• 作为产物：
  描述：

  bis(1,5-cyclooctadiene)nickel (0) 、 4,4-Bis(trifluoromethyl)-1,3-diazabuta-1,3-diene 、 三甲基膦 以 正戊烷 为溶剂， 以93%的产率得到Ni(PMe3)2(η(2)-PhC(N-Mes)NC(CF3)2)
  参考文献：
  名称：

  Nickel Complexes with Heterobutadiene Ligands

  摘要：

  The reactions of 4,4-bis(trifluoromethyl)-substituted hetero-l,a-dienes with Ni(cod)a and Ni(PMe3)(2)(cod) afford stable coordination compounds containing a trigonal planar Ni(0) center. The substitution of co-ligands by tert-butylisonitrile leads to five-membered nickelacycles by an unprecedented oxidative [4+1] cycloaddition of the hetero-1,3-diene to Ni(0) under formation of new Ni-C and Ni-O or Ni-N bonds. The nature of the resulting nickelacycloheteropentene derivatives decisively depends on the electronic and steric nature of the hetero-1,3-dienes. All compounds have been characterized by NMR, IR, or mass spectroscopy. X-ray crystal structure determinations are reported for four typical examples.

  DOI：

  10.1021/om980450o

文献信息

• Nickel Complexes with Heterobutadiene Ligands
  作者：Hans H. Karsch、Andreas W. Leithe、Manfred Reisky、Eva Witt

  DOI：10.1021/om980450o

  日期：1999.1.1

  The reactions of 4,4-bis(trifluoromethyl)-substituted hetero-l,a-dienes with Ni(cod)a and Ni(PMe3)(2)(cod) afford stable coordination compounds containing a trigonal planar Ni(0) center. The substitution of co-ligands by tert-butylisonitrile leads to five-membered nickelacycles by an unprecedented oxidative [4+1] cycloaddition of the hetero-1,3-diene to Ni(0) under formation of new Ni-C and Ni-O or Ni-N bonds. The nature of the resulting nickelacycloheteropentene derivatives decisively depends on the electronic and steric nature of the hetero-1,3-dienes. All compounds have been characterized by NMR, IR, or mass spectroscopy. X-ray crystal structure determinations are reported for four typical examples.