[Sc(CH2SiMe3)2(κ3-6-dimethylphenylsilylamino-1,4,6-trimethyl-1,4-diazepine(-H))(THF)] | 957049-87-5

• 分子结构分类: 有机化合物
• 英文名称: [Sc(CH2SiMe3)2(κ3-6-dimethylphenylsilylamino-1,4,6-trimethyl-1,4-diazepine(-H))(THF)]
• CAS: 957049-87-5
• 化学式: C₂₈H₅₈N₃OScSi₃
• 分子量: 582.0
• InChiKey: JOEZROCKOSHRJY-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：

  [Sc(CH2SiMe3)2(κ3-6-dimethylphenylsilylamino-1,4,6-trimethyl-1,4-diazepine(-H))(THF)] 以 甲苯 为溶剂， 以95%的产率得到[Sc(CH2SiMe3)2(κ3-6-dimethylphenylsilylamino-1,4,6-trimethyl-1,4-diazepine(-H))]
  参考文献：
  名称：

  Monoanionic fac-κ³ Ligands Derived from 6-Amino-1,4-diazepine:  Ligand Dependence of Stability and Catalytic Activity of Their Scandium Alkyl Derivatives

  摘要：

  Two new monoanionic fac-kappa(3) tridentate ligands [6-RN-1,4,6-trimethyl-1,4-diazepine](-) (R = CH3, L-1; R = PhMe2Si, L-2) were prepared. Reactions of ligands HL1 and HL2 with Sc(CH2SiMe3)(3)(THF)(2) yielded (L-1)Sc(CH2SiMe3)(2)(THF) (1) and (L-2)SC(CH2SiMe3)(2)(THF) (2), respectively. In toluene solvent, 1 loses a THF molecule and decomposes via metalation of the methyl group of the amido functionality to give {[CH2(mu-N)-1,4,6-trimethyl-1,4-diazepine]SC(CH2SiMe3)}(2) (3), whereas 2 loses a THF molecule to give stable (L-2)Sc(CH2SiMe3)(2) (4). In THF, both 1 and 2 react with [PhNMe2H][B(C6H5)(4)] to generate the ionic monoalkyl compounds [(L)Sc(CH2SiMe3)(THF)(2)][B(C6H5)(4)] (5, L = L-1, 6, L = L-2). Nevertheless, only the THF-free system 4/[PhNMe2H][B(C6F5)(4)] shows good ethylene polymerization activity, showing that a single THF molecule per Sc suffices to quench the catalysis. Dinuclear 3 reacts with ethylene via stoichiometric insertion into the Sc-CH2N bond to yield {[CH2CH2CH2(mu-N)-1,4,6-trimethyl-1,4diazepine]Sc(CH2SiMe3)}(2) (7).

  DOI：

  10.1021/om070144n
• 作为产物：
  描述：

  [scandium tris(trimethylsilylmethyl)(THF)2] 、 6-dimethylphenylsilylamino-1,4,6-trimethyl-1,4-diazepine 以 正戊烷 为溶剂， 以83%的产率得到[Sc(CH2SiMe3)2(κ3-6-dimethylphenylsilylamino-1,4,6-trimethyl-1,4-diazepine(-H))(THF)]
  参考文献：
  名称：

  Monoanionic fac-κ³ Ligands Derived from 6-Amino-1,4-diazepine:  Ligand Dependence of Stability and Catalytic Activity of Their Scandium Alkyl Derivatives

  摘要：

  Two new monoanionic fac-kappa(3) tridentate ligands [6-RN-1,4,6-trimethyl-1,4-diazepine](-) (R = CH3, L-1; R = PhMe2Si, L-2) were prepared. Reactions of ligands HL1 and HL2 with Sc(CH2SiMe3)(3)(THF)(2) yielded (L-1)Sc(CH2SiMe3)(2)(THF) (1) and (L-2)SC(CH2SiMe3)(2)(THF) (2), respectively. In toluene solvent, 1 loses a THF molecule and decomposes via metalation of the methyl group of the amido functionality to give {[CH2(mu-N)-1,4,6-trimethyl-1,4-diazepine]SC(CH2SiMe3)}(2) (3), whereas 2 loses a THF molecule to give stable (L-2)Sc(CH2SiMe3)(2) (4). In THF, both 1 and 2 react with [PhNMe2H][B(C6H5)(4)] to generate the ionic monoalkyl compounds [(L)Sc(CH2SiMe3)(THF)(2)][B(C6H5)(4)] (5, L = L-1, 6, L = L-2). Nevertheless, only the THF-free system 4/[PhNMe2H][B(C6F5)(4)] shows good ethylene polymerization activity, showing that a single THF molecule per Sc suffices to quench the catalysis. Dinuclear 3 reacts with ethylene via stoichiometric insertion into the Sc-CH2N bond to yield {[CH2CH2CH2(mu-N)-1,4,6-trimethyl-1,4diazepine]Sc(CH2SiMe3)}(2) (7).

  DOI：

  10.1021/om070144n