{Ni(sacac)2} | 14239-84-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: {Ni(sacac)2}
• 英文别名: Nickel, bis(4-thioxo-2-pentanonato-O,S)-；nickel(2+);(Z)-4-oxopent-2-ene-2-thiolate
• CAS: 14239-84-0
• 化学式: C₁₀H₁₄NiO₂S₂
• 分子量: 289.042
• InChiKey: OQNIDKUVOAOXTD-SHCHSPEBSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.05
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  36.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  bis(triethylphosphine)nickel(II) chloride 、 {Ni(sacac)2} 以 苯 为溶剂， 生成 {Ni(sacac)(PEt3)Cl}
  参考文献：
  名称：

  Catalytic olefin oligomerisation activity of a series of trialkyl- and triphenylphosphine derivatives of the nickel (II) complexes of 4-thioxo-2-pentanoate and 2,4-pentanedithionate

  摘要：

  A series of complexes of the type [Ni(L)(PR3)X] and [Ni(L)(Ph2P(CH2)(n)27PPh2)]BPh4 (where L = 4-thioxo-2-pentanoate (sacac); R = ethyl (Et), R = n-butyl((n)Bu); X = Cl, Br, n = 1 or 2; where L = 2,4-pentanedithionate (sacsac); R = methyl (Me), ethyl (Et), cyclohexyl (Cy) and phenyl (Ph); X = Cl, Br) has been prepared. The complex [Ni (sacac) (P(n)Bu3) Cl] is extremely labile. However, it could be prepared using ultrasound and identified by NMR. Attempts to recrystallize the complex lead to disproportionation. Several of the complexes were found to be active oligomerisation catalysts when tested for the oligomerisation of propene and 1-hexene. Factors that have been investigated are the effect of changing the Lewis acid co-catalyst, phosphine, chelating ligand (L) and halogen on the oligomerisation reaction. It is found that the phosphine ligand influences both the activity and selectivity of the oligomerisation reaction, whilst changing the thio ligand has a marked effect on catalyst activity only. In addition, the crystal structure of [Ni(C5H7OS) (P(C2H5)3)Cl] has been determined. Crystals of [Ni(C5H7OS)(P(C2H5)3)Cl] are monoclinic, P2(1)/n with a=7.644(4), b=18.005(8), c=11.021 (3) angstrom, beta=96.17(3)degrees V=1508(5) angstrom3, Z=4. The structure was solved using a Patterson map and refined to R=0.056 for 2227 reflections and 162 parameters. The Ni atom has square-planar coordination with Cl trans to the sulphur atom of the sacac ligand.

  DOI：

  10.1016/0304-5102(93)e0191-i
• 作为产物：
  描述：

  4-硫代-2-戊酮 、 nickel diacetate 生成 {Ni(sacac)2}
  参考文献：
  名称：

  Chaston, S. H. H.; Livingstone, S. E.; Lockyer, T. N., Australian Journal of Chemistry, 1965, vol. 18, p. 673 - 689

  摘要：

  DOI：

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Ni: MVol.C2, 8.13, page 963 - 978
  作者：

  DOI：——

  日期：——
• Balasubramanian, V.; Patel, C. C., Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry, <hi>1982</hi>, vol. 12, p. 11 - 34
  作者：Balasubramanian, V.、Patel, C. C.

  DOI：——

  日期：——
• Catalytic olefin oligomerisation activity of a series of trialkyl- and triphenylphosphine derivatives of the nickel (II) complexes of 4-thioxo-2-pentanoate and 2,4-pentanedithionate
  作者：G.A. Foulds、A.M.A. Bennet、M.L. Niven、D.A. Thornton、K.J. Cavell、S. Desjardins、E.J. Peacock

  DOI：10.1016/0304-5102(93)e0191-i

  日期：1994.2

  A series of complexes of the type [Ni(L)(PR3)X] and [Ni(L)(Ph2P(CH2)(n)27PPh2)]BPh4 (where L = 4-thioxo-2-pentanoate (sacac); R = ethyl (Et), R = n-butyl((n)Bu); X = Cl, Br, n = 1 or 2; where L = 2,4-pentanedithionate (sacsac); R = methyl (Me), ethyl (Et), cyclohexyl (Cy) and phenyl (Ph); X = Cl, Br) has been prepared. The complex [Ni (sacac) (P(n)Bu3) Cl] is extremely labile. However, it could be prepared using ultrasound and identified by NMR. Attempts to recrystallize the complex lead to disproportionation. Several of the complexes were found to be active oligomerisation catalysts when tested for the oligomerisation of propene and 1-hexene. Factors that have been investigated are the effect of changing the Lewis acid co-catalyst, phosphine, chelating ligand (L) and halogen on the oligomerisation reaction. It is found that the phosphine ligand influences both the activity and selectivity of the oligomerisation reaction, whilst changing the thio ligand has a marked effect on catalyst activity only. In addition, the crystal structure of [Ni(C5H7OS) (P(C2H5)3)Cl] has been determined. Crystals of [Ni(C5H7OS)(P(C2H5)3)Cl] are monoclinic, P2(1)/n with a=7.644(4), b=18.005(8), c=11.021 (3) angstrom, beta=96.17(3)degrees V=1508(5) angstrom3, Z=4. The structure was solved using a Patterson map and refined to R=0.056 for 2227 reflections and 162 parameters. The Ni atom has square-planar coordination with Cl trans to the sulphur atom of the sacac ligand.
• Chaston, S. H. H.; Livingstone, S. E.; Lockyer, T. N., Australian Journal of Chemistry, 1965, vol. 18, p. 673 - 689
  作者：Chaston, S. H. H.、Livingstone, S. E.、Lockyer, T. N.、Pickles, V. A.、Channon, J. S.

  DOI：——

  日期：——