[(C(C(NiPr)2))(ZnCl)4] | 1225383-03-8

• 英文名称: [(C(C(NiPr)2))(ZnCl)4]
• CAS: 1225383-03-8
• 化学式: C₂₉H₅₆Cl₄N₈Zn₄
• 分子量: 920.189
• InChiKey: MJCAVLBOLMUXRQ-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [(C(C(NiPr)2))(ZnCl)4] 、 甲基锂 以 甲苯 为溶剂， 以74%的产率得到tetrazinc;[C-[1,3-bis(propan-2-ylazanidyl)-1,3-bis(propan-2-ylimino)-2-(N-propan-2-yl-C-propan-2-ylazanidylcarbonimidoyl)propan-2-yl]-N-propan-2-ylcarbonimidoyl]-propan-2-ylazanide;carbanide
  参考文献：
  名称：

  Synthesis and X-ray Crystal Structures of Tetranuclear Zincamidinate Complexes

  摘要：

  Polynuclear amidinate zinc halide complexes of the general type{C[C(Ni-Pr)(2)ZnX](4)} [X = Cl, 2; Br, 3; 1,4] were prepared in high yields via methyl/halide exchange reaction of IC[C(Ni-Pr)(2)ZnMe](4)} (1a) with AlX3. 2-4 were characterized by elemental analysis, multinuclear NMR, and ER spectroscopy and single-crystal X-ray diffraction. Computational calculations of halide-substituted complexes IC[C(Ni-Pr)2ZnX]41 [X = F-1] were performed to clarify the influence of the halide atom on the structural parameters of the complexes and to elucidate their electronic structure and bonding situation. The capability of these halide-substituted complexes to serve as suitable starting reagents for further salt elimination reactions was proven by reaction of 2 with LiR (R = Me, n-Bu) and EtMgBr, which yielded the corresponding Zn-alkyl species {C[C(Ni-Pr)(2)ZnR](4)} [R = Me, 1a; n-Bu, 5; Et, 6].

  DOI：

  10.1021/om100065w
• 作为产物：
  描述：

  三氯化铝 、 tetrazinc;[C-[1,3-bis(propan-2-ylazanidyl)-1,3-bis(propan-2-ylimino)-2-(N-propan-2-yl-C-propan-2-ylazanidylcarbonimidoyl)propan-2-yl]-N-propan-2-ylcarbonimidoyl]-propan-2-ylazanide;carbanide 以 二氯甲烷 为溶剂， 以74%的产率得到[(C(C(NiPr)2))(ZnCl)4]
  参考文献：
  名称：

  Synthesis and X-ray Crystal Structures of Tetranuclear Zincamidinate Complexes

  摘要：

  Polynuclear amidinate zinc halide complexes of the general type{C[C(Ni-Pr)(2)ZnX](4)} [X = Cl, 2; Br, 3; 1,4] were prepared in high yields via methyl/halide exchange reaction of IC[C(Ni-Pr)(2)ZnMe](4)} (1a) with AlX3. 2-4 were characterized by elemental analysis, multinuclear NMR, and ER spectroscopy and single-crystal X-ray diffraction. Computational calculations of halide-substituted complexes IC[C(Ni-Pr)2ZnX]41 [X = F-1] were performed to clarify the influence of the halide atom on the structural parameters of the complexes and to elucidate their electronic structure and bonding situation. The capability of these halide-substituted complexes to serve as suitable starting reagents for further salt elimination reactions was proven by reaction of 2 with LiR (R = Me, n-Bu) and EtMgBr, which yielded the corresponding Zn-alkyl species {C[C(Ni-Pr)(2)ZnR](4)} [R = Me, 1a; n-Bu, 5; Et, 6].

  DOI：

  10.1021/om100065w

文献信息

• Synthesis, Structure, and Reactivity of a Tetranuclear Amidinato Zinc Hydride Complex
  作者：Benjamin Gutschank、Stephan Schulz、Dieter Bläser、Roland Boese、Christoph Wölper

  DOI：10.1021/om100966d

  日期：2010.11.22

  The tetranuclear amidinato zinc hydride complex C[C(Ni-Pr)(2)ZnH)(4)} (3) was synthesized by reaction of the Cl-substituted complex (C[C(Ni-Pr)(2)ZnCl](4)} with CaH2. 3 was found to react with phenylacetylene and acetylene at ambient temperature with elimination of H-2 and subsequent formation of C[C(Ni-Pr)(2)ZnC CPh](4) (4) and (C[C(Ni-Pr)(2)-ZnC CH](4) (5), respectively. 3-5 have been characterized by multinuclear NMR (H-1, C-13) and IR spectroscopy, elemental analyses, and single-crystal X-ray diffraction.