5-Nitro-6-p-chlorphenyl-2-piperidon | 58373-41-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 5-Nitro-6-p-chlorphenyl-2-piperidon
• 英文别名: 5-Nitro-6-p-chlorphenyl-piperidon-2；6-(4-chloro-phenyl)-5-nitro-piperidin-2-one；2-(4-chlorophenyl)-3-nitro-6-oxopiperidine；6-(4-Chlorophenyl)-5-nitropiperidin-2-one
• CAS: 58373-41-4
• 化学式: C₁₁H₁₁ClN₂O₃
• mdl: MFCD00175693
• 分子量: 254.673
• InChiKey: CALXKFHEBRCNOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  74.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-氯苯甲醛 生成 5-Nitro-6-p-chlorphenyl-2-piperidon
  参考文献：
  名称：

  Azacyclic compounds, processes for their preparation and pharmaceutical

  摘要：

  公式（I）的化合物，以及其盐和前药，其中n为1、2或3；X代表O或S；R.sup.1代表可选取代的苯基；R.sup.2代表芳基、杂环芳基、苄基或苄基；R.sup.4和R.sup.5各自独立地代表H、卤素、CH.sub.2OR.sup.9、C.sub.1-6烷基、氧代、CO.sub.2R.sup.10或CONR.sup.10R.sup.11；R.sup.8代表H、COR.sup.9、CO.sub.2R.sup.10或可选取代的C.sub.1-6烷基；R.sup.9代表H、C.sub.1-6烷基或苯基；R.sup.10和R.sup.11各自独立地代表H或C.sub.1-6烷基；它们是催吐肽拮抗剂。它们及其组合物在医学上有用。

  公开号：

  US05459270A1

文献信息

• Azacyclic compounds, processes for their preparation and pharmaceutical compositions containing them
  申请人：MERCK SHARP & DOHME LTD.

  公开号：EP0528495A1

  公开（公告）日：1993-02-24

  Compounds of formula (I), and salts and prodrugs thereof wherein    n is 1, 2 or 3;    X represents O or S;    R¹ represents optionally substituted phenyl;    R² represents aryl, heteroaryl, benzhydryl, or benzyl;    R⁴ and R⁵ each independently represent H, halo, CH₂OR⁹, C₁₋₆alkyl, oxo, CO₂R¹⁰ or CONR¹⁰R¹¹;    R⁸ represents H, COR⁹, CO₂R¹⁰ or optionally substituted C₁₋₆alkyl;    R⁹ represents H, C₁₋₆alkyl or phenyl; and    R¹⁰ and R¹¹ each independently represent H or C₁₋₆alkyl; are tachykinin antagonists. They and compositions thereof are useful in medicine.

  式(I)的化合物，以及其盐和前药，其中n为1、2或3；X代表O或S；R¹代表可选取代的苯基；R²代表芳基、杂芳基、苯甲醇或苄基；R⁴和R⁵各自独立地代表H、卤素、CH₂OR⁹、C₁₋₆烷基、氧代、CO₂R¹⁰或CONR¹⁰R¹¹；R⁸代表H、COR⁹、CO₂R¹⁰或可选取代的C₁₋₆烷基；R⁹代表H、C₁₋₆烷基或苯基；而R¹⁰和R¹¹各自独立地代表H或C₁₋₆烷基；它们是缓激肽拮抗剂。它们及其组合物在医学上有用。
• 5-Phenylbenzylamine compounds, process for their production and intermediates for their synthesis
  申请人：——

  公开号：US20040097548A1

  公开（公告）日：2004-05-20

  The present invention relates to a 5-phenylbenzylamine compound represented by the formula [1]: 1 wherein Ring A represents a phenyl group having a substituent(s), R a , R b1 and R b2 each represent hydrogen atom, a halogen atom, a lower alkyl group, a halogeno-lower alkyl group or a lower alkoxy group, R c1 represents hydrogen atom, a lower alkyl group optionally substituted by a heterocyclic group, or an acyl group, R c2 and R e each represent hydrogen atom or a lower alkyl group, R d represents hydrogen atom, a lower alkyl group or an acyl group, and R f represents a lower alkyl group or a cyclic lower alkyl group, or a pharmaceutically acceptable salt thereof, a process for preparing the same and synthetic intermediate thereof.

  本发明涉及一种由公式（1）表示的5-苯基苄胺化合物：其中环A代表具有取代基（Ra，Rb1和Rb2）的苯基；Ra，Rb1和Rb2各代表氢原子、卤素原子、较低的烷基、卤代较低的烷基或较低的烷氧基；Rc1代表氢原子、可选地被杂环基取代的较低烷基或酰基；Rc2和Re各代表氢原子或较低的烷基；Rd代表氢原子、较低的烷基或酰基；Rf代表较低的烷基或环状较低的烷基，或其药学上可接受的盐，以及其制备方法和合成中间体。
• 5-PHENYLBENZYLAMINE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND INTERMEDIATES FOR THEIR SYNTHESIS
  申请人：TANABE SEIYAKU CO., LTD.

  公开号：EP1323713A1

  公开（公告）日：2003-07-02

  The present invention relates to a 5-phenylbenzylamine compound represented by the formula [1]: wherein Ring A represents a phenyl group having a substituent(s),    Ra, Rb1 and Rb2 each represent hydrogen atom, a halogen atom, a lower alkyl group, a halogeno-lower alkyl group or a lower alkoxy group,    Rc1 represents hydrogen atom, a lower alkyl group optionally substituted by a heterocyclic group, or an acyl group,    Rc2 and Re each represent hydrogen atom or a lower alkyl group,    Rd represents hydrogen atom, a lower alkyl group or an acyl group, and    Rf represents a lower alkyl group or a cyclic lower alkyl group, or a pharmaceutically acceptable salt thereof, a process for preparing the same and synthetic intermediate thereof.

  本发明涉及一种由式[1]表示的 5-苯基苄胺化合物： 其中环 A 代表具有取代基的苯基、 Ra、Rb1 和 Rb2 各自代表氢原子、卤素原子、低级烷基、卤素-低级烷基或低级烷氧基、 Rc1 代表氢原子、任选被杂环基取代的低级烷基或酰基、 Rc2 和 Re 分别代表氢原子或低级烷基、 Rd 代表氢原子、低级烷基或酰基，以及 Rf 代表低级烷基或环状低级烷基、 或其药学上可接受的盐、制备方法及其合成中间体。
• MUEHLSTAEDT M.; SCHULZE B., J. PRAKT. CHEM. <JPCE-AO>, 1975, 317, NO 6, 919-925
  作者：MUEHLSTAEDT M.、 SCHULZE B.

  DOI：——

  日期：——
• AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：MERCK SHARP & DOHME LTD.

  公开号：EP0600952A1

  公开（公告）日：1994-06-15