6-氯-2-(2'-吡啶基)喹喔啉 | 1043875-66-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 6-氯-2-(2'-吡啶基)喹喔啉
• 英文名称: 6-chloro-2-(2-pyridyl)quinoxaline
• 英文别名: 6-Chloro-2-pyridin-2-ylquinoxaline
• CAS: 1043875-66-6
• 化学式: C₁₃H₈ClN₃
• 分子量: 241.68
• InChiKey: QDYLQFLILGJPTP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  五羰基氯铼(I) 、 6-氯-2-(2'-吡啶基)喹喔啉 以 甲醇 为溶剂， 以78%的产率得到fac-[ReCl(CO)3(6-chloro-2-(2'-pyridyl)quinoxaline)]
  参考文献：
  名称：

  Synthesis, spectroscopic properties and crystal structure of mononuclear tricarbonylrhenium(I) chloride complexes carrying 6-functionalised quinoxalines

  摘要：

  Two quinoxaline derivatives pqCH(3) and pqCl (where pq stands for 2-(2'-pyridyl)quinoxaline) were prepared by condensation of 2-acetyl pyridyl with 2-amino-4-methylphenylamine or 2-amino-4-chlorophenylamine, correspondingly and were studied spectroscopically and electrochemically, in correlation with the originally reported pq. Their novel corresponded complexes namely, fac-[Re(CO)(3)Cl(L)] (where L = pqCH(3) 2 and pqCl 3) were synthesized, characterized, studied and compared to Re(CO)(3)Clpq, 1. Complex 2 crystallizes in space group C2/c with a = 20.4476(17) angstrom, b = 15.4521(13) angstrom, c = 15.2887(13) angstrom, beta = 126.1210(11)degrees, Z = 8 and V = 3902.0(6) angstrom(3). The substitution of -H by -CH3 or -Cl at 6-position of pq has a minor electronic effect on the pyridyl ring of the ligands, but seems to influence the quinoxaline moiety enough to alter the spectroscopical and electrochemical features. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.04.035
• 作为产物：
  描述：

  2-乙酰基吡啶 、 4-氯-1,2-苯二胺 在 氯甲酸甲酯 作用下， 以 异丙醇 为溶剂， 反应 48.0h， 以30%的产率得到6-氯-2-(2'-吡啶基)喹喔啉
  参考文献：
  名称：

  Synthesis, spectroscopic properties and crystal structure of mononuclear tricarbonylrhenium(I) chloride complexes carrying 6-functionalised quinoxalines

  摘要：

  Two quinoxaline derivatives pqCH(3) and pqCl (where pq stands for 2-(2'-pyridyl)quinoxaline) were prepared by condensation of 2-acetyl pyridyl with 2-amino-4-methylphenylamine or 2-amino-4-chlorophenylamine, correspondingly and were studied spectroscopically and electrochemically, in correlation with the originally reported pq. Their novel corresponded complexes namely, fac-[Re(CO)(3)Cl(L)] (where L = pqCH(3) 2 and pqCl 3) were synthesized, characterized, studied and compared to Re(CO)(3)Clpq, 1. Complex 2 crystallizes in space group C2/c with a = 20.4476(17) angstrom, b = 15.4521(13) angstrom, c = 15.2887(13) angstrom, beta = 126.1210(11)degrees, Z = 8 and V = 3902.0(6) angstrom(3). The substitution of -H by -CH3 or -Cl at 6-position of pq has a minor electronic effect on the pyridyl ring of the ligands, but seems to influence the quinoxaline moiety enough to alter the spectroscopical and electrochemical features. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.04.035