4-Dimethylaminomethyl-3-hydroxy-1H-pyridin-2-one | 153112-30-2

• 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: 4-Dimethylaminomethyl-3-hydroxy-1H-pyridin-2-one
• 英文别名: 4-[(Dimethylamino)methyl]-3-hydroxypyridin-2(1H)-one；4-[(dimethylamino)methyl]-3-hydroxy-1H-pyridin-2-one
• CAS: 153112-30-2
• 化学式: C₈H₁₂N₂O₂
• 分子量: 168.195
• InChiKey: OMNYDDHGZMNUES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  52.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [RuCl2(hexamethylbenzene)]2 、 水 、 4-Dimethylaminomethyl-3-hydroxy-1H-pyridin-2-one 以 水 为溶剂， 生成 C₆(CH₃)6Ru(OH₂)(C₅H₂NHO₂CH₂NH(CH₃)2)⁽²⁺⁾*2Cl^(1-)=C₆(CH₃)6Ru(OH₂)(C₅H₂NHO₂CH₂NH(CH₃)2)Cl₂
  参考文献：
  名称：

  pH-Triggered Assembly of Organometallic Receptors for Lithium Ions

  摘要：

  The reaction of half-sandwich complexes of ruthenium, rhodium, and iridium with amino-substituted 3-hydroxy-2-pyridone ligands in aqueous solution gives monomeric O,O'-chelate complexes. Upon addition of base, the complexes assemble to form trimeric metallamacrocycles, as evidenced by NMR spectroscopy and single-crystal X-ray analyses. The macrocycles are able to act as highly selective receptors for lithium ions. The binding constants depend on the nature of the half-sandwich complex. the ligand, and the pH. With a commercially available (cymene)Ru complex, a receptor with a Li-divided by binding Constant of K-a = 5.8 (+/-1.0) x 10(4) M-1 and a Li-divided by-Na+ selectivity of 10 000:1 can be obtained. The fact that the assembly process of the receptor is pH-dependent can be used to detect the presence of lithium ions by a pH measurement. Furthermore, it is possible to transduce the binding of Li-divided by into a change of color by means of a chemical reaction with FeCl3. This allows the detection of Li-divided by in the pharmacologically relevant concentration range of 0.5-1.5 mM by the "naked eye".

  DOI：

  10.1021/ja044874n
• 作为产物：
  描述：

  聚合甲醛 、 二甲胺 、 吡啶-2,3-二醇 以 甲醇 为溶剂， 反应 2.0h， 以71%的产率得到4-Dimethylaminomethyl-3-hydroxy-1H-pyridin-2-one
  参考文献：
  名称：

  1H and 13C NMR spectral studies of some Mannich bases. Revised structures for the mono-substituted products from 3-hydroxy-2-pyridone

  摘要：

  H-1 and C-13 chemical shifts and J(HH) and J(CH) coupling constants are reported for a series of mono-Mannich bases derived from 3-hydroxy-2-pyridone. These compounds should be regarded as the 4-isomers rather than the 6-isomers proposed previously.

  DOI：

  10.1016/0584-8539(93)80237-5

文献信息

• THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES
  申请人：Lavoie Edmond J.

  公开号：US20150232454A1

  公开（公告）日：2015-08-20

  The invention provides compounds of formula (I): and salts and prodrugs thereof wherein R4, X1 and X2 have any of the meanings defined in the specification, as well as pharmaceutical compositions comprising the compounds or salts and methods for their use in therapy. The compounds have useful antiviral properties.

  本发明提供公式(I)的化合物，以及其盐和前药，其中R4、X1和X2具有规范中定义的任何含义，以及包含该化合物或盐的药物组合物和在治疗中使用它们的方法。这些化合物具有有用的抗病毒性能。
• Selection experiments with dynamic combinatorial libraries: the importance of the target concentration
  作者：Isabelle Saur、Kay Severin

  DOI：10.1039/b417824f

  日期：——

  Experimental data are presented which demonstrate that the target concentration has a strong influence on the outcome of selection experiments with a dynamic mixture of self-assembled receptors.
• US9573938B2
  申请人：——

  公开号：US9573938B2

  公开（公告）日：2017-02-21
• US9932323B2
  申请人：——

  公开号：US9932323B2

  公开（公告）日：2018-04-03