[(η5-C5H5)Ti(OC6H3(t-Bu)2-2,6)Me2] | 874291-09-5

• 英文名称: [(η5-C5H5)Ti(OC6H3(t-Bu)2-2,6)Me2]
• CAS: 874291-09-5
• 化学式: C₂₁H₃₂OTi
• 分子量: 348.364
• InChiKey: WFDUHOWVSWAFSP-UHFFFAOYSA-M

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-C5H5)Ti(OC6H3(t-Bu)2-2,6)Me2] 、 三(五氟苯基)硼烷 以 氘代甲苯 为溶剂， 生成 [(η5-C5H5)Ti(OC6H3(t-Bu)2-2,6)Me][MeB(C6F5)3]
  参考文献：
  名称：

  Diverse Pathways of Activation and Deactivation of Half-Sandwich Aryloxide Titanium Polymerization Catalysts

  摘要：

  A series of half-sandwich aryloxide titanium complexes, [CpTi(OAr)Me-2] (CP = C5H5; OAr = OC6H3-Me-2-2,6, OC6H3Et2-2,6, (OC6H3Pr2)-Pr-i-2,6, (OC6H3Pr2)-Pr-t-2,6, and OC6HPh4-2,3,5,6), have been synthesized. These compounds react with B(C6F5)(3) to give thermally unstable complexes [CpTi(OAr)Me][MeB(C6F5)(3)]. Two different deactivation pathways have been identified within the series. The tetraphenylphenoxide, cationic methyl compound decomposes cleanly at room temperature to give [CpTi(OC6HPh4-2,3,5,6)(C6F5){CH2B(C6F5)(2)}] and methane with a first-order rate constant of 7.6(2) x 10(-4) s(-1) at 25 degrees C. For relatively smaller aryloxide ligands, OAr = (OC6H3Pr2)-Pr-i-2,6, (OC6H3Bu2)-Bu-t-2,6, a Me/C6F5 exchange takes place, yielding CpTi(OAr)Me(C6F5) and MeB(C6F5)(2). The cationic titanium complexes are shown to be active for the polymerization of 1-hexene. At -20 and 0 degrees C, first-order dependence on the concentration of 1-hexene is observed. The rate of polymerization decreases with increasing steric hindrance of aryloxides except for OAr = OC6HPh4-2,3,5,6.

  DOI：

  10.1021/om0507272
• 作为产物：
  描述：

  、 甲基锂 以 苯 为溶剂， 以91%的产率得到[(η5-C5H5)Ti(OC6H3(t-Bu)2-2,6)Me2]
  参考文献：
  名称：

  Diverse Pathways of Activation and Deactivation of Half-Sandwich Aryloxide Titanium Polymerization Catalysts

  摘要：

  A series of half-sandwich aryloxide titanium complexes, [CpTi(OAr)Me-2] (CP = C5H5; OAr = OC6H3-Me-2-2,6, OC6H3Et2-2,6, (OC6H3Pr2)-Pr-i-2,6, (OC6H3Pr2)-Pr-t-2,6, and OC6HPh4-2,3,5,6), have been synthesized. These compounds react with B(C6F5)(3) to give thermally unstable complexes [CpTi(OAr)Me][MeB(C6F5)(3)]. Two different deactivation pathways have been identified within the series. The tetraphenylphenoxide, cationic methyl compound decomposes cleanly at room temperature to give [CpTi(OC6HPh4-2,3,5,6)(C6F5){CH2B(C6F5)(2)}] and methane with a first-order rate constant of 7.6(2) x 10(-4) s(-1) at 25 degrees C. For relatively smaller aryloxide ligands, OAr = (OC6H3Pr2)-Pr-i-2,6, (OC6H3Bu2)-Bu-t-2,6, a Me/C6F5 exchange takes place, yielding CpTi(OAr)Me(C6F5) and MeB(C6F5)(2). The cationic titanium complexes are shown to be active for the polymerization of 1-hexene. At -20 and 0 degrees C, first-order dependence on the concentration of 1-hexene is observed. The rate of polymerization decreases with increasing steric hindrance of aryloxides except for OAr = OC6HPh4-2,3,5,6.

  DOI：

  10.1021/om0507272