[(t)Bu-N=C(Ph)-C(Ph)=N-(t)Bu]FeCl3 | 956376-13-9

• 英文名称: [(t)Bu-N=C(Ph)-C(Ph)=N-(t)Bu]FeCl3
• CAS: 956376-13-9
• 化学式: C₂₂H₂₈Cl₃FeN₂
• 分子量: 482.684
• InChiKey: JLPVLWUDVBBKNK-SIVFGSBHSA-K

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：

  N,N'-bis(1,1-dimethylethyl)-1,2-diphenylethane-1,2-diimine 、 三氯化铁 以 二氯甲烷 为溶剂， 生成 [(t)Bu-N=C(Ph)-C(Ph)=N-(t)Bu]FeCl3
  参考文献：
  名称：

  Correlation of Metal Spin-State in α-Diimine Iron Catalysts with Polymerization Mechanism

  摘要：

  The alpha-diimine iron complexes, (R',R '')[N,N]FeCl2 ((R',R '')[N,N] = R'-N=CR"-CR ''=N-R', where R' = tert-butyl (tBu), cyclohexyl (Cy) and R '' = phenyl (Ph), para-fluorophenyl (F-Ph), para-bromophenyl (Br-Ph), para-methylphenyl (Me-Ph), or para-methoxyphenyl (MeO-Ph)), are found to polymerize styrene through a catalytic chain transfer (CCT) mechanism. Magnetic moment measurements indicate that Fe(III) complexes containing these ligands possess intermediate (S = 3/2) spin-state iron centers. In contrast, Fe(III) complexes bearing proton (R '' = H) and paradimethylaminophenyl (R '' = NMe2-Ph) substituents are high-spin and are efficient atom transfer radical polymerization (ATRP) catalysts. Hammett plots show a linear correlation of the substituent constant, sigma, with polymerization rate and polymer molecular weight, respectively.

  DOI：

  10.1021/ic701500y