(N[2-P(CHMe2)2-4-methylphenyl]2)Sc(CH3)2 | 1073683-75-6

• 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: (N[2-P(CHMe2)2-4-methylphenyl]2)Sc(CH3)2
• 英文别名: (N[2-PiPr2-4-methylphenyl]2)Sc(CH3)2；(PNP)Sc(CH3)2
• CAS: 1073683-75-6
• 化学式: C₂₈H₄₆NP₂Sc
• 分子量: 503.583
• InChiKey: VUELNSATJXIIGT-UHFFFAOYSA-N

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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  (N[2-P(CHMe2)2-4-methylphenyl]2)Sc(CH3)2 以 苯 为溶剂， 生成 (N[2-P(CHMe2)2-4-methylphenyl]2)Sc(NH-2,6-(i)Pr2C6H3)2
  参考文献：
  名称：

  Lewis Acid Stabilized Methylidene and Oxoscandium Complexes

  摘要：

  The methylidene scandium complex (PNP)Sc(mu(3)-CH2)(mu(2)-CH3)(2)[Al(CH3)(2)](2) (PNP=N[2-P(CHMe2)2-4-methylpheyl](2)(-)) can be prepared from the reaction of (PNP)Sc(CH3)(2) and 2 equiv of Al(CH3)(3). The Lewis acid stabilized methylidenes candium complex has been crystallographically characterized, and its bonding scheme analyzed by DFT. In addition, we report preliminary reactivity studies of the Sc-CH2 ligand with substrates such as H2NAr and OCPh2. While the former results in an Bronsted acid-base reaction, the latter reagent produces the olefin H2C-CPh2 along with the novel oxoscandium complex (PNP)Sc(mu(3)-O)(mu(2)-CH3)(2)[Al(CH3)(2)](2), quantitatively.

  DOI：

  10.1021/ja806635x
• 作为产物：
  描述：

  methyllithium lithium bromide 、 (bis(2-diisopropylphosphino-4-tolyl)amide)Sc(Cl2) 以 not given 为溶剂， 以58%的产率得到(N[2-P(CHMe2)2-4-methylphenyl]2)Sc(CH3)2
  参考文献：
  名称：

  Lewis Acid Stabilized Methylidene and Oxoscandium Complexes

  摘要：

  The methylidene scandium complex (PNP)Sc(mu(3)-CH2)(mu(2)-CH3)(2)[Al(CH3)(2)](2) (PNP=N[2-P(CHMe2)2-4-methylpheyl](2)(-)) can be prepared from the reaction of (PNP)Sc(CH3)(2) and 2 equiv of Al(CH3)(3). The Lewis acid stabilized methylidenes candium complex has been crystallographically characterized, and its bonding scheme analyzed by DFT. In addition, we report preliminary reactivity studies of the Sc-CH2 ligand with substrates such as H2NAr and OCPh2. While the former results in an Bronsted acid-base reaction, the latter reagent produces the olefin H2C-CPh2 along with the novel oxoscandium complex (PNP)Sc(mu(3)-O)(mu(2)-CH3)(2)[Al(CH3)(2)](2), quantitatively.

  DOI：

  10.1021/ja806635x

文献信息

• Tebbe-like and Phosphonioalkylidene and -alkylidyne Complexes of Scandium
  作者：Pavel Zatsepin、Eunji Lee、Jun Gu、Michael R. Gau、Patrick J. Carroll、Mu-Hyun Baik、Daniel J. Mindiola

  DOI：10.1021/jacs.0c02742

  日期：2020.6.3

  The bonding between scandium and carbon in a series of alkylidene and alkylidyne-like moieties is compared. The Tebbe-analogue complex (PNP)Sc(μ2-CHSiMe3)(μ2-CH3)[Al(CH3)(CH2SiMe3)] (2) (PNP- = N[2-PiPr2-4-methylphenyl]2), could be formed by adding AlMe3 to (PNP)Sc(CH2SiMe3)2 (1). The fluxional behavior of 2 is stud-ied by a combination of 2D 13C-1H HMQC, HMBC and other heteronuclear NMR spectroscopic

  比较了一系列亚烷基和亚烷基类部分中钪和碳之间的键合。Tebbe-类似物复合物 (PNP)Sc(μ2-CHSiMe3)(μ2-CH3)[Al( )(CH2SiMe3)] (2) (PNP- = N[2-PiPr2-4-methylphenyl]2)，可以是通过将 AlMe3 添加到 (PNP)Sc(CH2SiMe3)2 (1) 中形成。通过2D 13C-1H HMQC、HMBC和其他异核NMR光谱实验的组合研究了2的通量行为。膦酰亚烷基配合物 (PNP)Sc(CHPPh3)( ) (3) 可以通过用 2 当量的叶立德 H2CPPh3 处理或通过从 (PNP)Sc( )2 和一当量的 H2CPPh3 中消除甲烷来制备. 用 N3Ad 进一步探索了 2 中亚烷基的反应性，这在 Sc-C 键处插入，产生 (PNP)Sc( )[η2-N3AdCHSiMe3Al( )(CH2SiMe3)]