2-[4'-(S)-methyl-4,5-dihydrooxazolin-2'-yl]pyridine | 108915-05-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-[4'-(S)-methyl-4,5-dihydrooxazolin-2'-yl]pyridine
• 英文别名: (S)-(-)-4-Methyl-2-(2-pyridinyl)-2-oxazolin；(4S)-4-methyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
• CAS: 108915-05-5
• 化学式: C₉H₁₀N₂O
• 分子量: 162.191
• InChiKey: GNRGLELRZLUULL-ZETCQYMHSA-N

物化性质

• 熔点：
  35 °C(Solv: ethyl ether (60-29-7))
• 沸点：
  80-90 °C(Press: 0.1 Torr)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  34.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-[4'-(S)-methyl-4,5-dihydrooxazolin-2'-yl]pyridine 、 cobalt(II) chloride 以 四氢呋喃 为溶剂， 以65%的产率得到
  参考文献：
  名称：

  Pyridine–oxazoline and quinoline–oxazoline ligated cobalt complexes: Synthesis, characterization, and 1,3-butadiene polymerization behaviors

  摘要：

  A series of cobalt complexes supported by pyridine-oxazoline (Pyox) and quinoline-oxazoline (Quox) were synthesized. Determined by single crystal X-ray crystallography, complexes 6a and 7c adopted distorted octahedron and trigonal bipyramid geometries, respectively, while complex 6b existed as an ion pair comprised of [CoL2](2+) and [CoCl4](2-), in which the cationic and anionic moieties displayed distorted octahedron and tetrahedral geometries, respectively. Upon activation with ethylaluminium sesquichloride (EASC), these cobalt complexes exhibited high catalytic activity and cis-1,4-selectivity toward 1,3-butadiene polymerization. The selectivity of the catalytic system could be switched from cis-1,4 to 1,2-fashion via the addition of PPh3. The effects of ligand environment, polymerization temperature, and [Al]/[Co] ratio on the polymerization were investigated in detail. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2015.07.013
• 作为产物：
  描述：

  2-吡啶甲酰氯 在 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 26.0h， 生成 2-[4'-(S)-methyl-4,5-dihydrooxazolin-2'-yl]pyridine
  参考文献：
  名称：

  Pyridine–oxazoline and quinoline–oxazoline ligated cobalt complexes: Synthesis, characterization, and 1,3-butadiene polymerization behaviors

  摘要：

  A series of cobalt complexes supported by pyridine-oxazoline (Pyox) and quinoline-oxazoline (Quox) were synthesized. Determined by single crystal X-ray crystallography, complexes 6a and 7c adopted distorted octahedron and trigonal bipyramid geometries, respectively, while complex 6b existed as an ion pair comprised of [CoL2](2+) and [CoCl4](2-), in which the cationic and anionic moieties displayed distorted octahedron and tetrahedral geometries, respectively. Upon activation with ethylaluminium sesquichloride (EASC), these cobalt complexes exhibited high catalytic activity and cis-1,4-selectivity toward 1,3-butadiene polymerization. The selectivity of the catalytic system could be switched from cis-1,4 to 1,2-fashion via the addition of PPh3. The effects of ligand environment, polymerization temperature, and [Al]/[Co] ratio on the polymerization were investigated in detail. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2015.07.013

文献信息

• Brunner, Henri; Obermann, Uwe, Chemische Berichte, 1989, vol. 122, p. 499 - 508
  作者：Brunner, Henri、Obermann, Uwe

  DOI：——

  日期：——
• BRUNNER, HENRI;OBERMANN, UWE, CHEM. BER., 122,(1989) N, C. 499-507
  作者：BRUNNER, HENRI、OBERMANN, UWE

  DOI：——

  日期：——
• Pyridine–oxazoline and quinoline–oxazoline ligated cobalt complexes: Synthesis, characterization, and 1,3-butadiene polymerization behaviors
  作者：Jun Guo、Heng Liu、Jifu Bi、Chunyu Zhang、Hexin Zhang、Chenxi Bai、Yanming Hu、Xuequan Zhang

  DOI：10.1016/j.ica.2015.07.013

  日期：2015.8

  A series of cobalt complexes supported by pyridine-oxazoline (Pyox) and quinoline-oxazoline (Quox) were synthesized. Determined by single crystal X-ray crystallography, complexes 6a and 7c adopted distorted octahedron and trigonal bipyramid geometries, respectively, while complex 6b existed as an ion pair comprised of [CoL2](2+) and [CoCl4](2-), in which the cationic and anionic moieties displayed distorted octahedron and tetrahedral geometries, respectively. Upon activation with ethylaluminium sesquichloride (EASC), these cobalt complexes exhibited high catalytic activity and cis-1,4-selectivity toward 1,3-butadiene polymerization. The selectivity of the catalytic system could be switched from cis-1,4 to 1,2-fashion via the addition of PPh3. The effects of ligand environment, polymerization temperature, and [Al]/[Co] ratio on the polymerization were investigated in detail. (C) 2015 Elsevier B.V. All rights reserved.