(η5-C5Me4H)Hf[N(i-Pr)C(NMe2)N(i-Pr)]Cl2 | 957793-93-0

• 英文名称: (η5-C5Me4H)Hf[N(i-Pr)C(NMe2)N(i-Pr)]Cl2
• CAS: 957793-93-0
• 化学式: C₁₈H₃₃Cl₂HfN₃
• 分子量: 540.876
• InChiKey: OHNWSUDVOMHOSD-UHFFFAOYSA-L

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

• 作为反应物：
  描述：

  (η5-C5Me4H)Hf[N(i-Pr)C(NMe2)N(i-Pr)]Cl2 、 氮 在 potassium graphite 作用下， 以 四氢呋喃 为溶剂， 以45%的产率得到((η5-C5Me4H)Hf[N(i-Pr)C(NMe2)N(i-Pr)])2(μ-η2:η2-N2)
  参考文献：
  名称：

  Extreme N⋮N Bond Elongation and Facile N-Atom Functionalization Reactions within Two Structurally Versatile New Families of Group 4 Bimetallic “Side-on-Bridged” Dinitrogen Complexes for Zirconium and Hafnium

  摘要：

  Chemical reduction of(r vertical bar 5-C5Me4R)M[N(R-1)C(X)N(R-1)ICL2 (M = Zr or Hf, X = NMe2 or Me, R = H or Me, R' = i -Pr, Et) with 3 equiv of potassium graphite (KC8) in tetrahydrofuran (THF) provides modest isolated yields of the corresponding "side-on-bridged" dinitrogen complexes, {(y vertical bar 5-C5Me4R)M[N(R')C(X)N(R')]}(2)(/ly vertical bar-2-N-2) (1-6). Single-crystal X-ray analyses of these compounds provide d (N-N) bond length values of 1.518(2), 1.581(4), 1.600(6), 1.611(4), 1.630(4), and 1.635(5) angstrom for 1-6, respectively, that correlate with an increasing fold angle of the M2N2 core for an increase in d (N-N). Compounds 1-6 all undergo hydrosilylation and hydrogenation with PhSiH3 and H-2 to provide the corresponding N-functionalized products, 7 and 8, resulting from single addition of these reagents at 25 degrees C. Compounds 5 and 6 reacted with ethylbromide at 25 degrees C to provide the N-alkylated products 9a and 9b, respectively, while reaction of 5 with 1 equiv of Br-2 provided a near quantitative yield of the diazene dibromide 10 which was obtained as a minor co-product in the N-alkylation of S.

  DOI：

  10.1021/ja0752989