[(N(2-P(CHMe2)2-4-MeC6H3)2)NiI] | 1137627-15-6

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: [(N(2-P(CHMe2)2-4-MeC6H3)2)NiI]
• CAS: 1137627-15-6
• 化学式: C₂₆H₄₀INNiP₂
• 分子量: 614.152
• InChiKey: DHHNZZYKGZVWON-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  NiH(N(2-P(CHMe2)2-4-methylphenyl)2) 、 zinc(II) iodide 在 Ph₂SiH₂ 作用下， 以 正己烷 为溶剂， 生成 [(N(2-P(CHMe2)2-4-MeC6H3)2)NiI]
  参考文献：
  名称：

  轻度协议合成具有伯和仲甲硅烷基配体的稳定镍配合物

  摘要：

  对于（PNP）的Ni（SiH基的合成温和协议2 PH）和（PNP）的Ni（SiHPh 2）（PNP - = N [2-P（CHME 2）2 -4-MEC 6 ħ 3 ] 2）所产生氢化物配合物（PNP）中的NiH及其相应的固态结构也被提出。初步反应性和理论研究相结合，表明这些甲硅烷基配体是坚固的物种，这是由于钳子辅助装置强制实施了方形环境。

  DOI：

  10.1021/om801187b

文献信息

• Transmethylation of a four-coordinate nickel(<scp>i</scp>) monocarbonyl species with methyl iodide
  作者：Changho Yoo、Seohee Oh、Jin Kim、Yunho Lee

  DOI：10.1039/c4sc01089b

  日期：——

  The reaction of a nickel(i) carbonyl species with CH₃I revealed the formation of (PNP)NiCOCH₃ which differs from its zerovalent congener.

  镍（i）羰基物种与CH3I的反应显示出形成了(PNP)NiCOCH3，与其零价同系物不同。
• Mechanistic Study on C–C Bond Formation of a Nickel(I) Monocarbonyl Species with Alkyl Iodides: Experimental and Computational Investigations
  作者：Changho Yoo、Manjaly J. Ajitha、Yousung Jung、Yunho Lee

  DOI：10.1021/acs.organomet.5b00548

  日期：2015.9.14

  An open-shell reaction of the nickel(I) carbonyl species (PNP)Ni-CO (1) with iodoalkanes has been explored experimentally and theoretically. The initial iodine radical abstraction by a nickel(I) carbonyl species was suggested to produce (PNP)Ni-I (4) and the concomitant alkyl radical, according to a series of experimental indications involving stoichiometric controls employing iodoalkanes. Corresponding alkyl radical generation was also confirmed by radical trapping experiments using Gomberg's dimer. Molecular modeling supports that the nickel acyl species (PNP)N1-COCH3 (2) can be formed by a direct C-C bond formation between a carbonyl ligand of 1 and a methyl radical. As an alternative pathway, the five-coordinate intermediate species (PNP)Ni(CO) (CH3) (5) that involves both CO and CH3 binding at a nickel(II) center is also suggested with a comparable activation barrier, although this pathway energetically favors the formation of (PNP)Ni-CH3 (3) via a barrierless elimination of CO over a CO migratory insertion. Thus, our present work supports that the direct C-C bond coupling occurs between an alkyl radical and the carbonyl ligand at a monovalent nickel center in the generation of an acyl product.