(4S)-5-(2-tetrahydropyranyloxy)carbonyl-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid | 160748-89-0

• 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: (4S)-5-(2-tetrahydropyranyloxy)carbonyl-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid
• 英文别名: (4S)-2,6-dimethyl-4-(3-nitrophenyl)-5-(oxan-2-yloxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid
• CAS: 160748-89-0
• 化学式: C₂₀H₂₂N₂O₇
• 分子量: 402.404
• InChiKey: CYZJCMNLZGILCV-PKHIMPSTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  131
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (4S)-5-(2-tetrahydropyranyloxy)carbonyl-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid 、 碘甲烷 在 potassium carbonate 作用下， 以 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-tetrahydropyranyl (4S)-1,4-dihydro-2,6-dimethyl-5-methoxycarbonyl-4-(3-nitrophenyl)pyridine-3-carboxylate
  参考文献：
  名称：

  Optically active 1,4-hydropyridine compounds

  摘要：

  具有光学活性的1,4-二氢吡啶衍生物的一般式(I)，其中(R.sup.1是较低的烷基基团)，制备化合物(Ic)的过程(在一般式(I)中，制备化合物(II)的过程是通过在酸性条件下水解化合物(Ic)，或通过在碱性条件下对化合物(III)进行溶剂解的方式得到的。其中，R.sup.1为H、较低的烷基基团、氰乙基基团、较低的酰胺基乙基基团或较低的双烷基氨基乙基基团；R.sup.2为2-四氢吡喃基团或较低的烷氧甲基基团；R.sup.3为氰基、较低的双烷基氨基基团或较低的酰胺基基团；R.sup.4为较低的烷基基团。一般式(I)和(II)的化合物是制备循环器官药物中有用的光学活性1,4-二氢吡啶衍生物的中间体化合物。这些化合物可以通过本发明的方法高效地制备。

  公开号：

  US05395941A1

文献信息

• Optically active 1,4-dihydropyridine derivatives and process for preparing the same
  申请人：MERCIAN CORPORATION

  公开号：EP0636611A2

  公开（公告）日：1995-02-01

  [CONSTITUTION] Optically active 1,4-dihydropyridine derivatives represented by general formula (I), process for preparing compounds (Ic) (in general formula (I), R¹ is a lower alkyl group), process for preparing compounds represented by general formula (II) by hydrolyzing the compounds (Ic) under acidic conditions, process for preparing compounds represented by general formula (II) by solvolysis, under basic conditions, of compounds represented by general formula (III); wherein R¹ is H, a lower alkyl group, a cyanoethyl group, a lower alkanoylaminoethyl group, or a lower dialkylaminoethyl group; R² is a 2-tetrahydropyranyl group or a lower alkyloxymethyl group; R³ is a cyano group, a lower dialkylamino group or a lower alkanoylamino group; and R⁴ is a lower alkyl group. [ADVANTAGE] The compounds of general formula (I) and (II) are intermediate compounds for preparing optically active 1,4-dihydropyridine derivatives which are useful as medicines for circulatory organs. The compounds can be produced efficiently by the process of the present invention.

  [组织结构] 通式(I)代表的具有光学活性的1,4-二氢吡啶衍生物、化合物(Ic)的制备工艺（通式(I)中，R¹为低级烷基）、在酸性条件下通过水解通式(Ic)代表的化合物制备通式(II)代表的化合物的工艺、在碱性条件下通过溶解通式(III)代表的化合物制备通式(II)代表的化合物的工艺； 其中 R¹ 是 H、低级烷基、氰乙基、低级烷酰氨基乙基或低级二烷基氨基乙基；R² 是 2-四氢吡喃基或低级烷氧基甲基；R³ 是氰基、低级二烷基氨基或低级烷酰氨基；R⁴ 是低级烷基。 优点 通式(I)和(II)的化合物是制备具有光学活性的 1,4-二氢吡啶衍生物的中间化合物，这些衍生物可用作循环器官的药物。通过本发明的工艺可以高效地生产这些化合物。
• US5395941A
  申请人：——

  公开号：US5395941A

  公开（公告）日：1995-03-07
• Optically active 1,4-hydropyridine compounds
  申请人：Mercian Corporation

  公开号：US05395941A1

  公开（公告）日：1995-03-07

  Optically active 1,4-dihydropyridine derivatives represented by general formula (I), process for preparing compounds (Ic) (in general formula (I) , R.sup.1 is a lower alkyl group), process for preparing compounds represented by general formula (II) by hydrolyzing the compounds (Ic) under acidic conditions, process for preparing compounds represented by general formula (II) by solvolysis, under basic conditions, of compounds represented by general formula (III); ##STR1## wherein R.sup.1 is H, a lower alkyl group, a cyanoethyl group, a lower alkanoylaminoethyl group, or a lower dialkylaminoethyl group; R.sup.2 is a 2-tetrahydropyranyl group or a lower alkyloxymethyl group; R.sup.3 is a cyano group, a lower dialkylamino group or a lower alkanoylamino group; and R.sup.4 is a lower alkyl group. The compounds of general formula (I) and (II) are intermediate compounds for preparing optically active 1,4-dihydropyridine derivatives which are useful as medicines for circulatory organs. The compounds can be produced efficiently by the process of the present invention.

  具有光学活性的1,4-二氢吡啶衍生物的一般式(I)，其中(R.sup.1是较低的烷基基团)，制备化合物(Ic)的过程(在一般式(I)中，制备化合物(II)的过程是通过在酸性条件下水解化合物(Ic)，或通过在碱性条件下对化合物(III)进行溶剂解的方式得到的。其中，R.sup.1为H、较低的烷基基团、氰乙基基团、较低的酰胺基乙基基团或较低的双烷基氨基乙基基团；R.sup.2为2-四氢吡喃基团或较低的烷氧甲基基团；R.sup.3为氰基、较低的双烷基氨基基团或较低的酰胺基基团；R.sup.4为较低的烷基基团。一般式(I)和(II)的化合物是制备循环器官药物中有用的光学活性1,4-二氢吡啶衍生物的中间体化合物。这些化合物可以通过本发明的方法高效地制备。