N-methyl-N-(2-quinolylmethyl)-piperazine | 1430594-75-4

• 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: N-methyl-N-(2-quinolylmethyl)-piperazine
• 英文别名: 2-[(4-Methylpiperazin-1-yl)methyl]quinoline；2-[(4-methylpiperazin-1-yl)methyl]quinoline
• CAS: 1430594-75-4
• 化学式: C₁₅H₁₉N₃
• 分子量: 241.336
• InChiKey: QTGIQIGPDSUAMR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  19.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  copper(II) perchlorate hexahydrate 、 N-methyl-N-(2-quinolylmethyl)-piperazine 、 sodium dicyanamide 以 甲醇 、 水 为溶剂， 以71%的产率得到{[Cu(N-methyl-N-(2-quinolylmethyl)-piperazine)(μ-1,5-dicyanamide)](ClO4)}n
  参考文献：
  名称：

  Mononuclear, dinuclear and polymeric 1D thiocyanato- and dicyanamido–copper(II) complexes based on tridentate coligands

  摘要：

  Three mono-nuclear copper(II) complexes: [Cu(mpipy)(NCS)(2)] (1); [Cu(mpiq)(NCS)(2)] (2); [Cu(bdmpzpy) (dca)(2)(H2O)] (4) a dinuclear, [Cu-2(dmenim)(2)(mu(1.3)-NCS)(2)](ClO4)(2) (3) and a linear 1D {[Cu(mpiq)(mu(1.5)-dca)]ClO4}(n) (5) complex were synthesized using a variety of tridentate amine ligands (mpipy = N-methyl-N-(2-pyridylmethyl)piperazine; mpiq = N-methyl-N-(2-quinolylmethyl)-piperazine); bdmpzpy = 2,6-bis[(2,5-dimethyl-1H-pyrazolyl)methyl]pyridine; dmenim = Schiff base condensation of N,N-dimethylethyl-enediamine and imidazole-4(5)-carboxaldehyde). The complexes were characterized by spectroscopic techniques and by single crystal X-ray crystallography. The N-thiocyanato mode of bonding in 1 and 2, the terminal monodentate nitrile-dca bonding in 4, and the bridging modes mu 1,3-SCN in 3 and mu 1,5-dca in 5 as well as the distorted square pyramidal geometries around the central Cu(II) ions in compounds 1-3 and 5, and distorted octahedral in 4 were confirmed. The magnetic susceptibilities of compounds 3 and 5, investigated at variable temperature (2-300 K), revealed their weak antiferromagnetic coupling nature. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.01.033
• 作为产物：
  描述：

  N-甲基哌嗪 、 2-氯甲基喹啉盐酸盐 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 72.0h， 以81%的产率得到N-methyl-N-(2-quinolylmethyl)-piperazine
  参考文献：
  名称：

  Mononuclear, dinuclear and polymeric 1D thiocyanato- and dicyanamido–copper(II) complexes based on tridentate coligands

  摘要：

  Three mono-nuclear copper(II) complexes: [Cu(mpipy)(NCS)(2)] (1); [Cu(mpiq)(NCS)(2)] (2); [Cu(bdmpzpy) (dca)(2)(H2O)] (4) a dinuclear, [Cu-2(dmenim)(2)(mu(1.3)-NCS)(2)](ClO4)(2) (3) and a linear 1D {[Cu(mpiq)(mu(1.5)-dca)]ClO4}(n) (5) complex were synthesized using a variety of tridentate amine ligands (mpipy = N-methyl-N-(2-pyridylmethyl)piperazine; mpiq = N-methyl-N-(2-quinolylmethyl)-piperazine); bdmpzpy = 2,6-bis[(2,5-dimethyl-1H-pyrazolyl)methyl]pyridine; dmenim = Schiff base condensation of N,N-dimethylethyl-enediamine and imidazole-4(5)-carboxaldehyde). The complexes were characterized by spectroscopic techniques and by single crystal X-ray crystallography. The N-thiocyanato mode of bonding in 1 and 2, the terminal monodentate nitrile-dca bonding in 4, and the bridging modes mu 1,3-SCN in 3 and mu 1,5-dca in 5 as well as the distorted square pyramidal geometries around the central Cu(II) ions in compounds 1-3 and 5, and distorted octahedral in 4 were confirmed. The magnetic susceptibilities of compounds 3 and 5, investigated at variable temperature (2-300 K), revealed their weak antiferromagnetic coupling nature. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.01.033

文献信息

• Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs
  申请人：Frank Robert

  公开号：US20080300256A1

  公开（公告）日：2008-12-04

  Substituted 5,6,7,8-tetrahydro-imidazo[1,2-a]pyridin-2-ylamine compounds corresponding to formula I, methods for the preparation thereof, pharmaceutical compositions containing said compounds, the use of said compounds for preparing pharmaceutical compositions and related treatment methods.

  替代5,6,7,8-四氢咪唑[1,2-a]吡啶-2-胺化合物的公式I，其制备方法，含有该化合物的药物组合物，使用该化合物制备药物组合物以及相关治疗方法。
• SUBSTITUIERTE 5,6,7,8-TETRAHYDRO-IMIDAZO[1 ,2-A]PYRIDIN-2-YLAMIN-VERBINDUNGEN UND DEREN VERWENDUNG ZUR HERSTELLUNG VON ARZNEIMITTELN
  申请人：Grünenthal GmbH

  公开号：EP1869038B1

  公开（公告）日：2009-07-08
• US7829568B2
  申请人：——

  公开号：US7829568B2

  公开（公告）日：2010-11-09
• Mononuclear, dinuclear and polymeric 1D thiocyanato- and dicyanamido–copper(II) complexes based on tridentate coligands
  作者：Salah S. Massoud、Ashley E. Guilbeau、Hang T. Luong、Ramon Vicente、Jörg H. Albering、Roland C. Fischer、Franz A. Mautner

  DOI：10.1016/j.poly.2013.01.033

  日期：2013.4

  Three mono-nuclear copper(II) complexes: [Cu(mpipy)(NCS)(2)] (1); [Cu(mpiq)(NCS)(2)] (2); [Cu(bdmpzpy) (dca)(2)(H2O)] (4) a dinuclear, [Cu-2(dmenim)(2)(mu(1.3)-NCS)(2)](ClO4)(2) (3) and a linear 1D [Cu(mpiq)(mu(1.5)-dca)]ClO4}(n) (5) complex were synthesized using a variety of tridentate amine ligands (mpipy = N-methyl-N-(2-pyridylmethyl)piperazine; mpiq = N-methyl-N-(2-quinolylmethyl)-piperazine); bdmpzpy = 2,6-bis[(2,5-dimethyl-1H-pyrazolyl)methyl]pyridine; dmenim = Schiff base condensation of N,N-dimethylethyl-enediamine and imidazole-4(5)-carboxaldehyde). The complexes were characterized by spectroscopic techniques and by single crystal X-ray crystallography. The N-thiocyanato mode of bonding in 1 and 2, the terminal monodentate nitrile-dca bonding in 4, and the bridging modes mu 1,3-SCN in 3 and mu 1,5-dca in 5 as well as the distorted square pyramidal geometries around the central Cu(II) ions in compounds 1-3 and 5, and distorted octahedral in 4 were confirmed. The magnetic susceptibilities of compounds 3 and 5, investigated at variable temperature (2-300 K), revealed their weak antiferromagnetic coupling nature. (C) 2013 Elsevier Ltd. All rights reserved.