[(2-((2,6-diethylphenyl)amido)-4-((2,6-diethylphenyl)imino)-2-pentene)Zn]2(OCH3)(OC3H7) | 493025-71-1

• 英文名称: [(2-((2,6-diethylphenyl)amido)-4-((2,6-diethylphenyl)imino)-2-pentene)Zn]2(OCH3)(OC3H7)
• CAS: 493025-71-1
• 化学式: C₅₄H₇₆N₄O₂Zn₂
• 分子量: 944.003
• InChiKey: TZLHDMBVHXXORB-BDQWPUCASA-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：

  [(2-((2,6-diethylphenyl)amino)-4-((2,6-diethylphenyl)imino)-2-pentene)Zn(μ-methoxy)]₂ 、 [(2-((2,6-diethylphenyl)amido)-4-((2,6-diethylphenyl)imino)-2-pentene)Zn(isopropoxide)] 以 氘代苯 为溶剂， 生成 [(2-((2,6-diethylphenyl)amido)-4-((2,6-diethylphenyl)imino)-2-pentene)Zn]2(OCH3)(OC3H7)
  参考文献：
  名称：

  Single-Site β-Diiminate Zinc Catalysts for the Ring-Opening Polymerization of β-Butyrolactone and β-Valerolactone to Poly(3-hydroxyalkanoates)

  摘要：

  Polymerization of beta-butyrolactone (BBL) and beta-valerolactone (BVL) using the zinc alkoxide initiator (BDI-1)(ZnOPr)-Pr-l [(BDI-1) = 2-((2,6-diisopropylphenyl)amido)-4-((2,6-diisopropylphenyl)imino)-2-pentene] proceeds very rapidly under mild conditions to produce poly(3-hydroxybutyrate) (PHB) and poly(3-hyd roxyvalerate) (PHV), respectively. For the monomer-to-initiator ratio 200:1, PHB number-average molecular weights (M-n) are proportional to conversion throughout the reaction and polydispersity indices (PDIs) are narrow, consistent with a living polymerization. Higher monomer-to-initiator ratios can be used to achieve high molecular weight PHB (Mn > 100 000). End-group analysis verifies that the polymerization of BBL follows a coordination-insertion mechanism, where complexes of the form (BDI-1)ZnOCH(Me)CH2CO2R are the active species. Variable temperature NMR experiments show that (BDI-1)ZnO/Pr is monomeric in benzene-d(6) solution. In contrast, (BDI-2)ZnO/Pr [(BDI-2) = 2-((2,6-diethylphenyl)amido)-4-((2,6-diethy[phenyl)imino)-2-pentene] is a poor initiator at room temperature because it prefers to form a bis-mu-isopropoxide dimer in solution. According to kinetic studies, propagation by (BDI-1)ZnO/Pr is first order in both monomer as well as (BDI-1)ZnO/Pr concentration. These results lead us to propose a monometallic active species. Several results suggest that elimination side reactions are slowly catalyzed by zinc alkoxides, leading to degradation of the polymer.

  DOI：

  10.1021/ja020978r