2-(2-hydroxy-3-morpholinopropyl)-4-methyl-5-phenyl-3-isoxazolone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 2-(2-hydroxy-3-morpholinopropyl)-4-methyl-5-phenyl-3-isoxazolone
• 英文别名: 2-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methyl-5-phenyl-1,2-oxazol-3-one
• 化学式: C₁₇H₂₂N₂O₄
• 分子量: 318.373
• InChiKey: IHXRGYYOTYMNSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  62.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(2-hydroxy-3-morpholinopropyl)-4-methyl-5-phenyl-3-isoxazolone 生成 2-(2-Hydroxy-3-morpholinopropyl)-4-methyl-5-phenyl-3-isoxazolone hydrochloride
  参考文献：
  名称：

  NAGANO, MITSUO;SAKAI, DZYUNITI;IVATA, NOBUESI;KOBAYASI, KADZUO

  摘要：

  DOI：
• 作为产物：
  描述：

  4-methyl-5-phenyl-3-hydroxyisoxazole 以 乙醇 、 乙酸乙酯 为溶剂， 生成 2-(2-hydroxy-3-morpholinopropyl)-4-methyl-5-phenyl-3-isoxazolone
  参考文献：
  名称：

  Isoxazole derivatives for use as cerebro-active drugs and central muscle relaxants

  摘要：

  公开号：

  EP0335723B1

文献信息

• Isoxazole derivatives for use as cerebro-active drugs and central muscle
  申请人：Sankyo Company, Limited

  公开号：US05321037A1

  公开（公告）日：1994-06-14

  Compounds of formula (I): ##STR1## [in which: either (a) the dotted line ( ) is a single bond; A=is oxygen; and B is a group of formula (II): ##STR2## (in which m is 0 and n is 0 or 1) or (b) the dotted line ( ) is a double bond; A=is said group of formula (II) in which m is 1 and n is 0 or 1; and B is absent; and R.sup.1 is hydrogen, halogen, alkyl, alkenyl, alkynyl, optionally substituted benzyl or optionally substituted phenyl; R.sup.2 is hydrogen, halogen, alkyl, optionally substituted phenyl or heterocyclic; or R.sup.1 and R.sup.2, together with the carbon atoms to which they are attached, are a hydrocarbon ring fused to the isoxazole ring; R.sup.3 and R.sup.4 are each hydrogen, alkyl, optionally substituted benzyl or optionally substituted phenyl; or R.sup.3, R.sup.4 and the nitrogen atom to which they are attached together represent an alicyclic amino group]; and salts thereof may be used for the treatment of cerebral circulatory problems and for use as centrally acting muscle relaxants.

  式(I)的化合物：[其中：(a)虚线( )为单键；A为氧；B为式(II)的基团：(其中m为0，n为0或1)；或者(b)虚线( )为双键；A为式(II)中m为1，n为0或1的基团；B不存在；R.sup.1为氢、卤素、烷基、烯基、炔基、可选择取代的苄基或可选择取代的苯基；R.sup.2为氢、卤素、烷基、可选择取代的苯基或杂环基；或者R.sup.1和R.sup.2连同它们连接的碳原子一起，形成与异噁唑环融合的碳氢环；R.sup.3和R.sup.4分别为氢、烷基、可选择取代的苄基或可选择取代的苯基；或者R.sup.3、R.sup.4和它们连接的氮原子一起代表脂环氨基];以及其盐可用于治疗脑循环问题和用作中枢作用肌肉松弛剂。
• NAGANO, MITSUO;SAKAI, DZYUNITI;IVATA, NOBUESI;KOBAYASI, KADZUO
  作者：NAGANO, MITSUO、SAKAI, DZYUNITI、IVATA, NOBUESI、KOBAYASI, KADZUO

  DOI：——

  日期：——
• JPH01249759A
  申请人：——

  公开号：JPH01249759A

  公开（公告）日：1989-10-05
• US5321037A
  申请人：——

  公开号：US5321037A

  公开（公告）日：1994-06-14
• Isoxazole derivatives for use as cerebro-active drugs and central muscle relaxants
  申请人：Sankyo Company Limited

  公开号：EP0335723B1

  公开（公告）日：1991-12-04