N,N'-1,2-Xylene-α,α'-diylbis(pyridin-2-one) | 136643-15-7

• 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: N,N'-1,2-Xylene-α,α'-diylbis(pyridin-2-one)
• 英文别名: N,N'-(o-phenylenedimethylene)bis-(pyridin-2-one)；1-[[2-[(2-Oxopyridin-1-yl)methyl]phenyl]methyl]pyridin-2-one
• CAS: 136643-15-7
• 化学式: C₁₈H₁₆N₂O₂
• 分子量: 292.337
• InChiKey: OFAPMKQUOZHRRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  dysprosium(III) nitrate hexahydrate 、 N,N'-1,2-Xylene-α,α'-diylbis(pyridin-2-one) 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Synthesis, X-ray characterisation and spectroscopic studies of metal complexes of N,N′-1,2-xylene-α,α′-diylbis(pyridin-2-one)

  摘要：

  The co-ordination modes adopted by N,N'-1,2-xylene-alpha,alpha'-diylbis(pyridin-2-one) (o-xbp) with Sc, Y, lanthanides, Th(IV), Mn(II), Fe(III), Co(II) and Zn(II) have been studied. Five representative complexes have been structurally characterised by single-crystal X-ray diffraction. In the monomeric ten-co-ordinate complex [Ce(o-xbp)2(NO3)3].MeOH both o-xbp ligands form eleven-membered chelate rings. In the dinuclear complex [Y2(o-xbp)3(NO3)6].3MeCN pairs of nine-co-ordinate Y atoms are linked by an o-xbp bridge, whilst the other o-xbp ligands-form chelate rings. The dinuclear complex [{Zn(o-xbp)Cl2)2] forms individual 22-membered rings in which pairs of tetrahedrally co-ordinated Zn atoms are linked by o-xbp bridges. In the-iron(III) complex [Fe(o-xbp)2Cl2][FeCl4].MeOH the Fe atom in the cation has cis-octahedral co-ordination geometry with the o-xbp ligands forming eleven-membered chelate rings; the anion is tetrahedral. In the cobalt(II) complex [Co(o-xbp)2(MeOH)2]I2. 2MeOH the o-xbp ligands also chelate but the Co atom has a trans-octahedral geometry in which the two axial ligands are methanol molecules. A distinctive pattern of ligand conformations is observed in this series of compounds. Relevant spectroscopic results are also given.

  DOI：

  10.1039/dt9940000859
• 作为产物：
  描述：

  2-pyridone sodium salt 、 1,2-二(溴甲基)苯 以35%的产率得到N,N'-1,2-Xylene-α,α'-diylbis(pyridin-2-one)
  参考文献：
  名称：

  Synthesis, X-ray characterisation and spectroscopic studies of metal complexes of N,N′-1,2-xylene-α,α′-diylbis(pyridin-2-one)

  摘要：

  The co-ordination modes adopted by N,N'-1,2-xylene-alpha,alpha'-diylbis(pyridin-2-one) (o-xbp) with Sc, Y, lanthanides, Th(IV), Mn(II), Fe(III), Co(II) and Zn(II) have been studied. Five representative complexes have been structurally characterised by single-crystal X-ray diffraction. In the monomeric ten-co-ordinate complex [Ce(o-xbp)2(NO3)3].MeOH both o-xbp ligands form eleven-membered chelate rings. In the dinuclear complex [Y2(o-xbp)3(NO3)6].3MeCN pairs of nine-co-ordinate Y atoms are linked by an o-xbp bridge, whilst the other o-xbp ligands-form chelate rings. The dinuclear complex [{Zn(o-xbp)Cl2)2] forms individual 22-membered rings in which pairs of tetrahedrally co-ordinated Zn atoms are linked by o-xbp bridges. In the-iron(III) complex [Fe(o-xbp)2Cl2][FeCl4].MeOH the Fe atom in the cation has cis-octahedral co-ordination geometry with the o-xbp ligands forming eleven-membered chelate rings; the anion is tetrahedral. In the cobalt(II) complex [Co(o-xbp)2(MeOH)2]I2. 2MeOH the o-xbp ligands also chelate but the Co atom has a trans-octahedral geometry in which the two axial ligands are methanol molecules. A distinctive pattern of ligand conformations is observed in this series of compounds. Relevant spectroscopic results are also given.

  DOI：

  10.1039/dt9940000859

文献信息

• [EN] PYRIDINONES USEFUL AS ANTIATHEROSCLEROTIC AGENTS
  申请人：THE UPJOHN COMPANY

  公开号：WO1991009848A1

  公开（公告）日：1991-07-11

  (EN) The present invention relates to novel compounds of formula (I), and a method of using these compounds in mammals as therapeutic agents for the prevention or treatment of atherosclerosis and related diseases. In the said formula, R1 includes substituted pyridinones, pyridinyloxy, benzoxazoles, and benzoxazolin-2-thiones; and cis-CH=CHCH2OC(O)O(C1-C4)alkyl, -(CH2)nCH(OH)CH2O-phenyl-CO2R3, and -(CH2)nC(=O)CH2O-phenyl-CO2R3.(FR) La présente invention concerne de nouveaux composés de la formule (I), ainsi qu'un procédé d'utilisation de ces composés chez les mammifères comme agents thérapeutiques pour la prévention ou le traitement de l'athérosclérose et des maladies associées. Dans ladite formule, R1 comprend les substances suivantes: pyridinones, pyridinyloxy, benzoxazoles et benzoxazolin-2-thiones substitués; et cis-CH=CHCH2OC(O)O(C1-C4)alkyle, -(CH2)nCH(OH)CH2O-phényle-CO2R3, et -(CH2)nC(=O)CH2O-phényle-CO2R3.