3-Hydroxy-3-phenyl-3-<2>pyridyl-propionsaeure | 23997-37-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 3-Hydroxy-3-phenyl-3-<2>pyridyl-propionsaeure
• 英文别名: 3-Hydroxy-3-phenyl-3--propionsaeure；3-hydroxy-3-phenyl-3-pyridin-2-yl-propionic acid；3-Hydroxy-3-phenyl-3-pyridin-2-ylpropanoic acid
• CAS: 23997-37-7
• 化学式: C₁₄H₁₃NO₃
• 分子量: 243.262
• InChiKey: JCAPALLOXROZSG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  70.4
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• Method for producing optically active compound
  申请人：Yamano Toru

  公开号：US20070276143A1

  公开（公告）日：2007-11-29

  The present invention provides a method for producing an optically active β-hydroxy ester compound represented by the general formula: wherein R 1 represents an optionally substituted hydrocarbon group and the like, R 2 represents a nitrogen-containing heterocyclic group different from R 1 , which is represented by the general formula: wherein the ring may be substituted and the like, R 3 represents an optionally substituted hydrocarbon group and the like, R 4 and R 5 represent, the same or different, a hydrogen atom, a halogen atom and the like, the symbol “*” represents an optically active center, which comprises reacting in the presence of a cinchona alkaloid and the like a compound represented by the general formula: wherein R 1 and R 2 are as defined above with a compound represented by the general formula: wherein R 3 , R 4 and R 5 are as defined above, and X is a halogen atom.

  本发明提供了一种制备光学活性β-羟基酯化合物的方法，该化合物由下述通式表示：其中，R1代表可选取代的碳氢基团等，R2代表与R1不同的含氮杂环基团，其由下述通式表示：其中，环可以取代等，R3代表可选取代的碳氢基团等，R4和R5代表相同或不同的氢原子、卤素原子等，“*”符号代表光学活性中心。该方法包括在奎宁生物碱等存在下，将下述通式表示的化合物：其中，R1和R2如上所定义，与下述通式表示的化合物反应：其中，R3、R4和R5如上所定义，X为卤素原子。
• PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1489070A1

  公开（公告）日：2004-12-22

  The present invention provides a method for producing an optically active β-hydroxy ester compound represented by the general formula: wherein    R1 represents an optionally substituted hydrocarbon group and the like,    R2 represents a nitrogen-containing heterocyclic group different from R1, which is represented by the general formula: wherein the ring may be substituted and the like,    R3 represents an optionally substituted hydrocarbon group and the like,    R4 and R5 represent, the same or different, a hydrogen atom, a halogen atom and the like,    the symbol "*" represents an optically active center, which comprises reacting in the presence of a cinchona alkaloid and the like a compound represented by the general formula: wherein R1 and R2 are as defined above with a compound represented by the general formula: wherein R3, R4 and R5 are as defined above, and X is a halogen atom.

  本发明提供了一种生产由通式表示的光学活性β-羟基酯化合物的方法： 其中 R1代表任选取代的烃基等、 R2 代表不同于 R1 的含氮杂环基团，由通式表示： 其中环可被取代等、 R3 代表任选取代的烃基等、 R4 和 R5 代表相同或不同的氢原子、卤素原子等、 符号 "*"代表光学活性中心，它包括在金鸡纳生物碱等存在下与通式所代表的化合物反应： 其中 R1 和 R2 如上所定义与通式代表的化合物反应： 其中 R3、R4 和 R5 如上定义，X 为卤原子。
• US7247732B2
  申请人：——

  公开号：US7247732B2

  公开（公告）日：2007-07-24
• US7629472B2
  申请人：——

  公开号：US7629472B2

  公开（公告）日：2009-12-08