2-(2-ethylquinolin-8-yl)benzothiazole | 1429058-63-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-(2-ethylquinolin-8-yl)benzothiazole
• 英文别名: 2-(2-Ethylquinolin-8-yl)-1,3-benzothiazole
• CAS: 1429058-63-8
• 化学式: C₁₈H₁₄N₂S
• 分子量: 290.389
• InChiKey: KDNMUNUVNLGPPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  nickel(II) chloride hexahydrate 、 2-(2-ethylquinolin-8-yl)benzothiazole 以 二氯甲烷 为溶剂， 反应 12.0h， 以91%的产率得到C₁₈H₁₄Cl₂N₂NiS
  参考文献：
  名称：

  Highly active 8-benzoxazolyl- or 8-benzothiazolyl-2-alkylquinolinylnickel(II) complexes for ethylene dimerization and vinyl polymerization of norbornene

  摘要：

  The series of nickel halide complexes LNiX2 (C1-C6, X = Cl; C7-C12, X = Br), where L represents one of 8-benzoxazolyl-2-alkylquinoline or 8-benzothiazolyl-2-alkylquinoline derivatives, have been prepared. The molecular structures of the representative complexes C1, C3, C6 and C11 were determined by single crystal X-ray diffraction. Upon activation with ethylaluminium sesquichloride (EASC), all nickel complex precatalysts exhibited good activities for ethylene dimerization. Furthermore, such nickel pre-catalysts, in the presence of methylaluminoxane (MAO), were capable of the vinyl polymerization norbornene. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.06.056
• 作为产物：
  描述：

  2-ethylquinoline-8-carboxylic acid 、 2-氨基苯硫醇 在 polyphosphoric acid 作用下， 反应 6.0h， 以75%的产率得到2-(2-ethylquinolin-8-yl)benzothiazole
  参考文献：
  名称：

  Highly active 8-benzoxazolyl- or 8-benzothiazolyl-2-alkylquinolinylnickel(II) complexes for ethylene dimerization and vinyl polymerization of norbornene

  摘要：

  The series of nickel halide complexes LNiX2 (C1-C6, X = Cl; C7-C12, X = Br), where L represents one of 8-benzoxazolyl-2-alkylquinoline or 8-benzothiazolyl-2-alkylquinoline derivatives, have been prepared. The molecular structures of the representative complexes C1, C3, C6 and C11 were determined by single crystal X-ray diffraction. Upon activation with ethylaluminium sesquichloride (EASC), all nickel complex precatalysts exhibited good activities for ethylene dimerization. Furthermore, such nickel pre-catalysts, in the presence of methylaluminoxane (MAO), were capable of the vinyl polymerization norbornene. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.06.056