Ti(OSO2CF3)2(N,N'-ethylenebis(5-tert-butylsalicylideneiminate)) | 216670-50-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Ti(OSO2CF3)2(N,N'-ethylenebis(5-tert-butylsalicylideneiminate))
• 英文别名: 4-tert-butyl-2-[2-[(5-tert-butyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;titanium(4+);trifluoromethanesulfonate
• CAS: 216670-50-7
• 化学式: C₂₆H₃₀F₆N₂O₈S₂Ti
• 分子量: 724.535
• InChiKey: QIVBBWGZLNPPDC-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  4.07
• 重原子数：
  45
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  202
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  Ti(OSO2CF3)2(N,N'-ethylenebis(5-tert-butylsalicylideneiminate)) 、 Ti(4-tert-butylphenolate)2(N,N'-ethylenebis(5-tert-butylsalicylideneiminate)) 以 二氯甲烷 、 乙腈 为溶剂， 生成 Ti(OSO2CF3)(4-tert-butylphenolate)(N,N'-ethylenebis(5-tert-butylsalicylideneiminate))
  参考文献：
  名称：

  Synthesis and Reactivity of Titanium(IV)−Salen Complexes Containing Oxygen and Chloride Ligands

  摘要：

  The reaction of in situ-generated Ti((OPr)-Pr-i)(2)(X)(2) (X = OAr, OTf) with H(2)salen or H(2)salen* yields the stable, well-characterized Ti(salen)X-2 series of complexes. Ti(salen*)(OTf)(2) could also be synthesized by reacting the previously unknown Ti(salen*)Cl-2 with TMSOTf or AgOTf. The ditriflates could be converted back to the aryloxides upon reaction with 2 equiv of NaOAr. Ti(salen)(4-tert-butyphenoxy)(2) was characterized by X-ray crystallography and found to contain a pseudoplanar salen ligand with two axially coordinated aryloxide ligands. H(2)salen and H(2)salen* were also found to cleanly react with in situ-generated Ti((OPr)-Pr-i)(3)(X) (X = OC(O)R, OTf) to yield the unsymmetrically substituted Ti(salen)((OPr)-Pr-i)(X) and Ti(salen*)((OPr)-Pr-i)(X) complexes, respectively. In the case of X = OTf, the isopropoxide ligand could be cleanly protonated with 4-tert-butylphenol to yield Ti(salen)(OAr)(OTf) in high yield. This complex could also be accessed by the comproportionation reaction of Ti(salen)(OAr)(2) and Ti(salen)(OTf)(2).

  DOI：

  10.1021/om980414p
• 作为产物：
  描述：

  Ti(N,N'-ethylenebis(5-tert-butylsalicylideneiminate))Cl2 、 silver trifluoromethanesulfonate 以 二氯甲烷 为溶剂， 以68%的产率得到Ti(OSO2CF3)2(N,N'-ethylenebis(5-tert-butylsalicylideneiminate))
  参考文献：
  名称：

  Synthesis and Reactivity of Titanium(IV)−Salen Complexes Containing Oxygen and Chloride Ligands

  摘要：

  The reaction of in situ-generated Ti((OPr)-Pr-i)(2)(X)(2) (X = OAr, OTf) with H(2)salen or H(2)salen* yields the stable, well-characterized Ti(salen)X-2 series of complexes. Ti(salen*)(OTf)(2) could also be synthesized by reacting the previously unknown Ti(salen*)Cl-2 with TMSOTf or AgOTf. The ditriflates could be converted back to the aryloxides upon reaction with 2 equiv of NaOAr. Ti(salen)(4-tert-butyphenoxy)(2) was characterized by X-ray crystallography and found to contain a pseudoplanar salen ligand with two axially coordinated aryloxide ligands. H(2)salen and H(2)salen* were also found to cleanly react with in situ-generated Ti((OPr)-Pr-i)(3)(X) (X = OC(O)R, OTf) to yield the unsymmetrically substituted Ti(salen)((OPr)-Pr-i)(X) and Ti(salen*)((OPr)-Pr-i)(X) complexes, respectively. In the case of X = OTf, the isopropoxide ligand could be cleanly protonated with 4-tert-butylphenol to yield Ti(salen)(OAr)(OTf) in high yield. This complex could also be accessed by the comproportionation reaction of Ti(salen)(OAr)(2) and Ti(salen)(OTf)(2).

  DOI：

  10.1021/om980414p