[7-(bis(diphenylamino)phosphino)-1,5,7-triazabicyclo[4.4.0]dec-5-ene]nickel dibromide | 1065063-74-2

• 英文名称: [7-(bis(diphenylamino)phosphino)-1,5,7-triazabicyclo[4.4.0]dec-5-ene]nickel dibromide
• CAS: 1065063-74-2
• 化学式: C₃₁H₃₂Br₂N₅NiP
• 分子量: 724.1
• InChiKey: HEOKEYXTYHCKDU-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

• 作为产物：
  描述：

  乙二醇二甲醚溴化镍 、 7-(bis(diphenylamino)phosphino)-1,5,7-triazabicyclo[4.4.0]dec-5-ene 以 二氯甲烷 为溶剂， 以91%的产率得到[7-(bis(diphenylamino)phosphino)-1,5,7-triazabicyclo[4.4.0]dec-5-ene]nickel dibromide
  参考文献：
  名称：

  Rigid N-Phosphino Guanidine P,N Ligands and Their Use in Nickel-Catalyzed Ethylene Oligomerization

  摘要：

  The rigid bidentate P,N-ligands 3a-d (phosphino substituent: a, Ph; b, mes; c, N-i-Pr-2; d, NPh2), each with a 7-phosphino-1,5,7-triazabicyclo[4.4.0]dec-5-ene skeleton, are readily prepared in high yields and have been used in the preparation of the nickel complexes [NiBr2(3a-d)] (4a-d). The derivatives 4a,d are both diamagnetic, while their counterparts 4b,c are paramagnetic with values of mu(eff)(300 K) of 2.05 and 2.10 mu(B), respectively. The structure of 4a has been determined in the solid state by X-ray diffraction, which confirmed the k(2)P,N coordination of 3a and the essentially square-planar geometry about Ni. In combination with EtAlCl2 the Ni(II) complexes of 4b-d are active ethylene oligomerization initiators (C2H4, 1 bar; NiAl = 1:14; toluene), affording varying mixtures of butenes, hexenes, and octenes (trace), depending on the nature of the P-donor, but with a reasonable selectivity toward C-4 with complex 4c. In contrast, under identical reaction conditions complex 4a gives rise to products resulting from a sequence of ethylene oligomerization and subsequent Friedel-Crafts alkylation of the toluene solvent. Notably, no activity toward ethylene (1 bar) was observed for 4/MAO (Ni:Al = 1:15 or 1:500).

  DOI：

  10.1021/om8005933