1-乙酰基-2-甲基-3-苯基甲氧基吡啶-4-酮 | 95215-48-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-乙酰基-2-甲基-3-苯基甲氧基吡啶-4-酮
• 英文名称: 1-acetyl-3-benzyloxy-2-methylpyrid-4-one
• 英文别名: 1-Acetyl-3-(benzyloxy)-2-methylpyridin-4(1H)-one；1-acetyl-2-methyl-3-phenylmethoxypyridin-4-one
• CAS: 95215-48-8
• 化学式: C₁₅H₁₅NO₃
• 分子量: 257.289
• InChiKey: GILCXCWQIKPOIJ-UHFFFAOYSA-N

物化性质

• 沸点：
  443.4±45.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-Benzyloxy-2-methyl-4-pyridone 、 乙酰溴 、 三乙胺 在 二氯甲烷 、 盐酸 、 水 、 Sodium sulfate-III 、 ethyl acetate n-hexane 作用下， 以 丙酮 为溶剂， 反应 16.0h， 以gives 1-acetyl-3-benzyloxy-2-methylpyrid-4-one as an oil (3.1 g)的产率得到1-乙酰基-2-甲基-3-苯基甲氧基吡啶-4-酮
  参考文献：
  名称：

  Pharmaceutical compositions

  摘要：

  含有3-羟基吡啶-2-酮或3-羟基吡啶，其中连接氮原子的氢原子被取代为脂肪族酰基团、脂肪族碳氢基团或被一个或一个以上的取代基取代，所述取代基选自脂肪族酰基、烷氧基、脂肪族胺、脂肪族酰胺、羧基、脂肪族酯、卤素、羟基和磺酸基，但不包括仅被脂肪族碳氢基团取代的化合物，或其盐，其中包含生理上可接受的离子，对于从体内去除有毒量的金属，特别是铁，具有价值。

  公开号：

  USRE035948E1

文献信息

• Iron-pyridone complexes for anemia
  申请人：National Research Development Corporation

  公开号：US04650793A1

  公开（公告）日：1987-03-17

  Pharmaceutical compositions containing an iron complex of a 3-hydroxypyrid-2-one or 3-hydroxypyrid-4-one in which the hydrogen atom attached to the nitrogen atom is replaced by an aliphatic acyl group, by an aliphatic hydrocarbon group, or by an aliphatic hydrocarbon group substituted by one or, except in the case of ionizable groups, more than one substituent selected from aliphatic acyl, alkoxy, aliphatic amine, aliphatic amide, carboxy, aliphatic ester, halogen, hydroxy and sulpho groups and, optionally, in which one or more of the hydrogen atoms attached to ring carbon atoms are replaced by one of said substituents, by an aliphatic hydrocarbon group, or by an aliphatic hydrocarbon group substituted by an alkoxy, aliphatic ester, halogen or hydroxy group, but excluding compounds in which said replacement of hydrogen atoms in the compound is effected only by aliphatic hydrocarbon groups, are of value for the treatment of iron deficiency anemia.

  含有3-羟基吡啶-2-酮或3-羟基吡啶-4-酮的铁络合物的药物组合物，其中氮原子上连接的氢原子被取代为脂肪族酰基团、脂肪族碳氢基团或被选自脂肪族酰基、烷氧基、脂肪族胺、脂肪族酰胺、羧基、脂肪族酯、卤素、羟基和磺酸基中的一个或一个以上取代基的烷基碳氢基团取代，且可选地，其中一个或多个连接到环碳原子的氢原子被取代为上述取代基之一，或被取代为烷氧基、脂肪族酯、卤素或羟基的脂肪族碳氢基团或被取代为烷氧基、脂肪族酯、卤素或羟基的脂肪族碳氢基团取代，但不包括仅由脂肪族碳氢基团取代化合物的价值，用于治疗缺铁性贫血。
• Iron III complexes of hydroxypyridones, and their pharmaceutical compositions
  申请人：NATIONAL RESEARCH DEVELOPMENT CORPORATION

  公开号：EP0120670A1

  公开（公告）日：1984-10-03

  Pharmaceutical compositions containing an iron complex of a 3-hydroxypyrid-2-one or 3-hydroxypyrid-4-one in which the hydrogen atom attached to the nitrogen atom is replaced by an aliphatic acyl group, by an aliphatic hydrocarbon group, or by an aliphatic hydrocarbon group substituted by one or, except in the case of ionisable groups, more than one substituent selected from aliphatic acyl, alkoxy, aliphatic amine, aliphatic amide, carboxy, aliphatic ester, halogen, hydroxy and sulpho groups and, optionally, in which one or more of the hydrogen atoms attached to ring carbon atoms are replaced by one of said substituents, by an aliphatic hydrocarbon group, or by an aliphatic hydrocarbon group substituted by an alkoxy, aliphatic ester, halogen or hydroxy group, but excluding compounds in which said replacement of hydrogen atoms in the compound is effected only by aliphatic hydrocarbon groups, are of value for the treatment of iron deficiency anaemia.

  含有 3-羟基吡啶-2-酮或 3-羟基吡啶-4-酮铁络合物的药物组合物，其中与氮原子相连的氢原子被脂肪族酰基、脂肪族烃基或被一个或一个以上取代基取代的脂肪族烃基所取代（可电离基团除外），取代基选自脂肪族酰基、烷氧基、脂肪族胺、脂肪族酰胺、羧基、脂肪族酯、卤素、在可离子化基团的情况下，一个以上选自脂肪族酰基、烷氧基、脂肪族酰胺、羧基、脂肪族酯、卤素、羟基和磺基的取代基，以及环碳原子上的一个或多个氢原子被上述取代基、脂肪族烃基或被烷氧基、脂肪族酯、卤素或羟基取代的脂肪族烃基取代，但不包括化合物中的氢原子仅被脂肪族烃基取代的化合物，这些化合物具有治疗缺铁性贫血的价值。
• Hydroxypyridones, and their pharmaceutical compositions
  申请人：NATIONAL RESEARCH DEVELOPMENT CORPORATION

  公开号：EP0120669A2

  公开（公告）日：1984-10-03

  Pharmaceutical compositions containing a 3-hydroxypyrid-2-one or 3-hydroxypyrid-4-one in which the hydrogen atom attached to the nitrogen atom is replaced by an aliphatic acyl group, by an aliphatic hydrocarbon group, or by an aliphatic hydrocarbon group substituted by one or, except in the case of ionisable groups, more than one substituent selected from aliphatic acyl, alkoxy, aliphatic amine, aliphatic amide, carboxy, aliphatic ester, halogen, hydroxy and sulpho groups and, optionally, in which one or more of the hydrogen atoms attached to ring carbon atoms are replaced by one of said substituents, by an aliphatic hydrocarbon group, or by an aliphatic hydrocarbon group substituted by an alkoxy, aliphatic ester, halogen or hydroxy group, but excluding compounds in which said replacement of hydrogen atoms in the compound is effected only by aliphatic hydrocarbon groups, or a saltthereof containing a physiologically acceptable ion or ions, are of value for removing toxic amounts of metals, particularly iron, from the body.

  含有 3-羟基吡啶-2-酮或 3-羟基吡啶-4-酮的药物组合物，其中与氮原子相连的氢原子被脂族酰基、脂族烃基取代、或被一个或一个以上取代基取代的脂肪族烃基，这些取代基选自脂肪族酰基、烷氧基、脂肪族胺、脂肪族酰胺、羧基、脂肪族酯、卤素、羟基和亚砜基，可选的情况除外、其中与环碳原子相连的一个或多个氢原子被上述取代基之一、脂肪族烃基或被烷氧基、脂肪族酯、卤素或羟基取代的脂肪族烃基所取代，但不包括化合物中的氢原子仅被脂肪族烃基取代的化合物，或含有生理上可接受的一种或多种离子的盐。
• 3-Hydroxypyrid-4-ones and pharmaceutical compositions
  申请人：BRITISH TECHNOLOGY GROUP LIMITED

  公开号：EP0305646A2

  公开（公告）日：1989-03-08

  Pharmaceutical compositions containing a 3-hydroxypyrid-2-one or 3-hydroxypyrid-4-one in which the hydrogen atom attached to the nitrogen atom is replaced by an aliphatic acyl group, by an aliphatic hydrocarbon group, or by an aliphatic hydrocarbon group substituted by one or more substituents selected from aliphatic acyl, aliphatic amide, aliphatic ester, halogen and hydroxy groups and, optionally, in which one or more of the hydrogen atoms attached to ring carbon atoms are replaced by one of said substituents, by an aliphatic hydrocarbon group, or by an aliphatic hydrocarbon group substituted by an alkoxy, aliphatic ester, halogen or hydroxy group, but excluding compounds in which said replacement of hydrogen atoms in the compound is effected only by substituents selected from aliphatic hydrocarbon groups and aliphatic hydrocarbon groups substituted by an alkoxy group or groups, or a physiologically acceptable salt thereof, are of value for removing toxic amounts of metals, particularly iron, from the body.

  含有 3-羟基吡啶-2-酮或 3-羟基吡啶-4-酮的药物组合物，其中与氮原子相连的氢原子被脂族酰基、脂族烃基或被选自脂族酰基、脂族酰胺、脂族酯、卤素和羟基的一个或多个取代基取代，并且可选地，其中与环碳原子相连的一个或多个氢原子被上述取代基之一取代、脂族烃基，或被烷氧基、脂族酯、卤素或羟基取代的脂族烃基，但不包括仅由选自脂族烃基和被一个或多个烷氧基取代的脂族烃基的取代基实现化合物中氢原子的取代的化合物，或其生理上可接受的盐。
• US4585780A
  申请人：——

  公开号：US4585780A

  公开（公告）日：1986-04-29