(C5Me5)2Y[(t)BuNC(C.ident.CPh)N(t)Bu-κ2N,N'] | 1333210-72-2

• 英文名称: (C5Me5)2Y[(t)BuNC(C.ident.CPh)N(t)Bu-κ2N,N']
• CAS: 1333210-72-2
• 化学式: C₃₇H₅₃N₂Y
• 分子量: 614.747
• InChiKey: KEYNUERQWMMZLG-UHFFFAOYSA-N

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′-二叔丁基碳二亚胺 、 (C₅Me₅)₂Y(C≡CPh)(tetrahydrofuran) 以 甲苯 为溶剂， 以68%的产率得到(C5Me5)2Y[(t)BuNC(C.ident.CPh)N(t)Bu-κ2N,N']
  参考文献：
  名称：

  C–H Activation via Carbodiimide Insertion into Yttrium–Carbon Alkynide Bonds: An Organometallic Alder-ene Reaction

  摘要：

  The yttrium alkynide (C5Me5)(2)Y(C CPh)(THF), 1, and the related trienediyl [(C5Me5)(2)Y](2)(mu-eta(2):eta(2)-PhC=C=C=CPh), 2, can be isolated from the reaction of (C5Me5)(2)Y(eta(3)-CH2CHCH2)(THF) with phenylacetylene in THF and hexane, respectively. Complex 1 reacts with (BuN)-Bu-t=C=(NBu)-Bu-t to afford the conventional amidinate insertion product (C5Me5)(2)Y[(BuNC)-Bu-t(C CPh)(NBu)-Bu-t-kappa N-2,N'], 3. However, the analogous reaction with iso-propyl and cyclohexyl carbodiimides involves C-H activation and forms the iminovinyl complexes (C5Me5)(2)Y[C(=CHPh)C(N=CMe2)=(NPr)-Pr-t-kappa C-2,N], 4, and (C5Me5)(2)Y{C(=CHPh)C[N=C(CH2)(5)]=NCH(CH2)(5)-kappa C-2,N}, 5, respectively. The reaction is formally a variation of the Alder-ene reaction in which a C-H bond of the carbodiimide (ene) is activated and transferred to the alkynide ligand (enophile) bound to yttrium. The trienediyl 2 reacts with iso-propyl carbodiimide via conventional insertion to form a bis(amidinate) product with a trienediyl linker, namely, (C5Me5)(2)Y-[mu-kappa(2)-((PrN)-Pr-i)(2)C-C(Ph)=C=C=C(Ph)-C((NPr)-Pr-i)(2)]Y(C5Me5)(2), 6. The alkynide ligand in 1 is also modified in the reaction with benzylcyanide that forms an unusual insertion product, the amidonitrile complex [(C5Me5)(2)Y{mu-N(H)C(CH2Ph)=C[C(Ph)=CHPh]C N}](2), 7.

  DOI：

  10.1021/om200419k