5-甲基-2-[2-(5-甲基-1,3-苯并恶唑-2-基)乙基]-1,3-苯并恶唑 | 15827-61-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 中文名称: 5-甲基-2-[2-(5-甲基-1,3-苯并恶唑-2-基)乙基]-1,3-苯并恶唑
• 英文名称: 1.2-Bis-<5-methyl-benzoxazolyl-(2)>-aethan
• 英文别名: α,β-Bis-(5-Methyl-benzoxazolyl)-aethylen；α,β-Bis-(5-methylbenzoxazolyl-2)-ethylen；2,2'-(Ethane-1,2-diyl)bis(5-methyl-1,3-benzoxazole)；5-methyl-2-[2-(5-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
• CAS: 15827-61-9
• 化学式: C₁₈H₁₆N₂O₂
• 分子量: 292.337
• InChiKey: UDKXETOFYQJYNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  52.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  zirconium chloride-tetrahydrofuran 、 5-甲基-2-[2-(5-甲基-1,3-苯并恶唑-2-基)乙基]-1,3-苯并恶唑 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Zr(IV) complexes of some heterocyclic ligands: synthesis, characterization, and ethylene polymerization activity

  摘要：

  Thirty-one complexes of bis-(benzimidazole, benzothiazole, and benzoxazole) compounds with Zr(IV) metal centers were synthesized, characterized, activated with methylaluminoxane (MAO), and then tested for catalytic ethylene polymerization. The activities of the various catalysts were found to be functions of the heteroatoms in the ligand frameworks and the structure around the active metal center. The highest activity was obtained with 38/MAO (424 kg E/mol cat. h). The produced polyethylenes showed high molecular weights (41/MAO, 1.9 x 10(6) g/mol) and broad molecular weight distributions (38/MAO, M-omega = 9.64 x 10(5) g/mol, PD = 23). This could result from different interactions of the MAO counter ion with the heteroatoms of the catalyst ligand generating different active sites.

  DOI：

  10.3906/kim-1512-44
• 作为产物：
  描述：

  丁二酸酐 、 邻氨基对甲苯酚 在 polyphosphoric acid 作用下， 生成 5-甲基-2-[2-(5-甲基-1,3-苯并恶唑-2-基)乙基]-1,3-苯并恶唑
  参考文献：
  名称：

  Ti (IV) Complexes of Some Heterocyclic Ligands Synthesis, Characterization and Ethylene Polymerization Activity

  摘要：

  合成了31个双-（苯并咪唑、苯并噻唑和苯并恶唑）化合物与钛（IV）金属中心的配合物，进行了表征，并用甲基铝氧烷（MAO）激活，然后测试了其在催化乙烯聚合中的活性。各种催化剂的活性被发现与配体框架中的杂原子有关。39 / MAO获得了最高活性（573 kg PE / mol cat. h）。所产生的聚乙烯具有高分子量（最高可达1.5 × 10^6 g/mol）和宽的分子量分布（PD = 65）。这可能是由于MAO反离子与催化剂配体中的杂原子之间不同的相互作用生成了不同的活性位点。

  DOI：

  10.13005/ojc/320177

文献信息

• US4304569A
  申请人：——

  公开号：US4304569A

  公开（公告）日：1981-12-08
• Ti (IV) Complexes of Some Heterocyclic Ligands Synthesis, Characterization and Ethylene Polymerization Activity
  作者：Hamdi Elagab

  DOI：10.13005/ojc/320177

  日期：2016.3.25

  31 complexes of bis - (benzimidazole, benzothiazole and benzoxazole) compounds with Ti (IV) metal centers were synthesized, characterized, activated with methylalumoxane (MAO) and then tested for catalytic ethylene polymerization. The activities of the various catalysts were found to be functions of the hetero atoms in the ligand frameworks. The highest activity was obtained with 39 / MAO (573 kg PE / mol cat. h). The produced polyethylenes showed high molecular weights (up to 1.5 ×106 g/mol) and broad molecular weight distributions (PD = 65). This could result from different interactions of the MAO counterion with the heteroatoms of the catalyst ligand generating different active sites.

  合成了31个双-（苯并咪唑、苯并噻唑和苯并恶唑）化合物与钛（IV）金属中心的配合物，进行了表征，并用甲基铝氧烷（MAO）激活，然后测试了其在催化乙烯聚合中的活性。各种催化剂的活性被发现与配体框架中的杂原子有关。39 / MAO获得了最高活性（573 kg PE / mol cat. h）。所产生的聚乙烯具有高分子量（最高可达1.5 × 10^6 g/mol）和宽的分子量分布（PD = 65）。这可能是由于MAO反离子与催化剂配体中的杂原子之间不同的相互作用生成了不同的活性位点。
• Zr(IV) complexes of some heterocyclic ligands: synthesis, characterization, and ethylene polymerization activity
  作者：Hamdi Ali ELAGAB

  DOI：10.3906/kim-1512-44

  日期：——

  Thirty-one complexes of bis-(benzimidazole, benzothiazole, and benzoxazole) compounds with Zr(IV) metal centers were synthesized, characterized, activated with methylaluminoxane (MAO), and then tested for catalytic ethylene polymerization. The activities of the various catalysts were found to be functions of the heteroatoms in the ligand frameworks and the structure around the active metal center. The highest activity was obtained with 38/MAO (424 kg E/mol cat. h). The produced polyethylenes showed high molecular weights (41/MAO, 1.9 x 10(6) g/mol) and broad molecular weight distributions (38/MAO, M-omega = 9.64 x 10(5) g/mol, PD = 23). This could result from different interactions of the MAO counter ion with the heteroatoms of the catalyst ligand generating different active sites.