4-[[(1S)-1-phenylethyl]amino]butanoyl chloride | 869381-64-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-[[(1S)-1-phenylethyl]amino]butanoyl chloride
• CAS: 869381-64-6
• 化学式: C₁₂H₁₆ClNO
• 分子量: 225.718
• InChiKey: KSAHOARBISPNKL-JTQLQIEISA-N

物化性质

• 沸点：
  313.9±25.0 °C(Predicted)
• 密度：
  1.093±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-[[(1S)-1-phenylethyl]amino]butanoyl chloride 在 sodium hydroxide 、 苄基三乙基氯化铵 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 (S)-N-(1'-phenylethyl)-2-pyrrolidinone
  参考文献：
  名称：

  [EN] PYRROLIDIN-2-ONE AND PIPERIDIN-2-ONE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS
  [FR] UTILISATION DE DERIVES DE PYRROLIDIN-2-ONE ET DE PIPERIDIN-2-ONE COMME INHIBITEURS DE LA 11-BETA-HYDROXYSTEROIDE DESHYDROGENASE

  摘要：

  公式（I），N-氧化物形式，药学上可接受的加合盐及其立体化异构形式，其中n为1或2；L代表C1-3烷基连接物，可选地取代为从C1-4烷基，C1-3烷氧基-C1-4烷基，羟基-C1-4烷基，羟基，C1-3烷氧基或苯基-C1-4烷基中选择的一个或两个取代基；M代表直接键或C1-3烷基连接物，可选地取代为从羟基，C1-4烷基或C1-4烷氧基中选择的一个或两个取代基；R1和R2各自独立地代表氢，卤素，氰基，羟基，C1-4烷基（可选地取代为卤素），C1-4烷氧基（可选地取代为一个或可能两个或三个取代基，选自羟基，Ar1和卤素）；或者R1和R2连同它们连接的苯环形成萘基或1,3-苯并二氧杂环己，其中所述的萘基或1,3-苯并二氧杂环己可选地取代为卤素；R3代表氢，卤素，C1-4烷基，C1-4烷氧基，氰基或羟基；R4代表氢，卤素，C1-4烷基，C1-4烷氧基，氰基或羟基；R5代表氢，C1-4烷基或Ar2-C1-4烷基；R6代表氢，卤素，C1-4烷基或C1-4烷氧基；Ar1和Ar2各自独立地代表苯基或萘基，其中所述的苯基和萘基可选地取代为C1-4烷基，C1-4烷氧基或苯基-C1-4烷基；用作药物。

  公开号：

  WO2005108360A1
• 作为产物：
  描述：

  (S)-(-)- α-甲基苄胺 、 4-氯丁酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 4-[[(1S)-1-phenylethyl]amino]butanoyl chloride
  参考文献：
  名称：

  [EN] PYRROLIDIN-2-ONE AND PIPERIDIN-2-ONE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS
  [FR] UTILISATION DE DERIVES DE PYRROLIDIN-2-ONE ET DE PIPERIDIN-2-ONE COMME INHIBITEURS DE LA 11-BETA-HYDROXYSTEROIDE DESHYDROGENASE

  摘要：

  公式（I），N-氧化物形式，药学上可接受的加合盐及其立体化异构形式，其中n为1或2；L代表C1-3烷基连接物，可选地取代为从C1-4烷基，C1-3烷氧基-C1-4烷基，羟基-C1-4烷基，羟基，C1-3烷氧基或苯基-C1-4烷基中选择的一个或两个取代基；M代表直接键或C1-3烷基连接物，可选地取代为从羟基，C1-4烷基或C1-4烷氧基中选择的一个或两个取代基；R1和R2各自独立地代表氢，卤素，氰基，羟基，C1-4烷基（可选地取代为卤素），C1-4烷氧基（可选地取代为一个或可能两个或三个取代基，选自羟基，Ar1和卤素）；或者R1和R2连同它们连接的苯环形成萘基或1,3-苯并二氧杂环己，其中所述的萘基或1,3-苯并二氧杂环己可选地取代为卤素；R3代表氢，卤素，C1-4烷基，C1-4烷氧基，氰基或羟基；R4代表氢，卤素，C1-4烷基，C1-4烷氧基，氰基或羟基；R5代表氢，C1-4烷基或Ar2-C1-4烷基；R6代表氢，卤素，C1-4烷基或C1-4烷氧基；Ar1和Ar2各自独立地代表苯基或萘基，其中所述的苯基和萘基可选地取代为C1-4烷基，C1-4烷氧基或苯基-C1-4烷基；用作药物。

  公开号：

  WO2005108360A1

文献信息

• PYRROLIDIN-2-ONE AND PIPERIDIN-2-ONE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS
  申请人：Janssen Pharmaceutica NV

  公开号：EP1747199B1

  公开（公告）日：2014-09-17
• Pyrrolidin-2-One and Piperidin-2-One Derivatives as 11-Beta Hydroxysteroid Dehydrogenase Inhibitors
  申请人：Jaroskova Libuse

  公开号：US20080139625A1

  公开（公告）日：2008-06-12

  Formula (I), the N-oxide forms, the pharmaceutically acceptable addition salts and the stereochemically isomeric forms thereof, wherein n is 1 or 2; L represents a C 1-3 alkyl linker optionally substituted with one or two substituents selected from C 1-4 alkyl, C 1-3 alkyloxy-C 1-4 alkyl-, hydroxy-C 1-4 alkyl, hydroxy, C 1-3 alkyloxy- or phenyl-C 1-4 alkyl; M represents a direct bond or a C 1-3 alkyl linker optionally substituted with one or two substituents selected from hydroxy, C 1-4 alkyl or C 1-4 alkyloxy; R 1 and R 2 each independently represent hydrogen, halo, cyano, hydroxy, C 1-4 alkyl optionally substituted with halo, C 1-4 alkyloxy- optionally substituted with one or where possible two or three substituents selected from hydroxy, Ar 1 and halo; or R 1 and R 2 taken together with the phenyl ring to which they are attached form naphtyl or 1,3-benzodioxolyl, wherein said naphtyl or 1,3-benzodioxolyl are optionally substituted with halo; R 3 represents hydrogen, halo, C 1-4 alkyl, C 1-4 alkyloxy-, cyano or hydroxy; R 4 represents hydrogen, halo, C 1-4 alkyl, C 1-4 alkyloxy-, cyano or hydroxy; R 5 represents hydrogen, C 1-4 alkyl or Ar 2 -C 1-4 alky-; R 6 represents hydrogen, halo, C 1-4 alkyl Or C 1-4 alkyoxy-; Ar 1 and Ar 2 each independently represent phenyl or naphtyl wherein said phenyl and naphtyl are optionally substituted with C 1-4 alkyl, C 1-4 alkyloxy-, or phenyl-C 1-4 alkyl; for use as a medicine.
• PYRROLIDINYL DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS
  申请人：Janssen Pharmaceutica N.V.

  公开号：US20150183735A1

  公开（公告）日：2015-07-02

  The N-oxide forms, the pharmaceutically acceptable addition salts and the stereochemically isomeric forms thereof, wherein n is 1 or 2; L represents a C 1-3 alkyl linker optionally substituted with one or two substituents selected from C 1-4 alkyl, C 1-3 alkyloxy-C 1-4 alkyl-, hydroxy-C 1-4 alkyl, hydroxy, C 1-3 alkyloxy- or phenyl-C 1-4 alkyl; M represents a direct bond or a C 1-3 alkyl linker optionally substituted with one or two substituents selected from hydroxy, C 1-4 alkyl or C 1-4 alkyloxy; R 1 and R 2 each independently represent hydrogen, halo, cyano, hydroxy, C 1-4 alkyl optionally substituted with halo, C 1-4 alkyloxy- optionally substituted with one or where possible two or three substituents selected from hydroxy, Ar 1 and halo; or R 1 and R 2 taken together with the phenyl ring to which they are attached form naphtyl or 1,3-benzodioxolyl, wherein said naphtyl or 1,3-benzodioxolyl are optionally substituted with halo; R 3 represents hydrogen, halo, C 1-4 alkyl, C 1-4 alkyloxy-, cyano or hydroxy; R 4 represents hydrogen, halo, C 1-4 alkyl, C 1-4 alkyloxy-, cyano or hydroxy; R 5 represents hydrogen, C 1-4 alkyl or Ar 2 —C 1-4 alky-; R 6 represents hydrogen, halo, C 1-4 alkyl or C 1-4 alkyoxy-; Ar 1 and Ar 2 each independently represent phenyl or naphtyl wherein said phenyl and naphtyl are optionally substituted with C 1-4 alkyl, C 1-4 alkyloxy-, or phenyl-C 1-4 alkyl; for use as a medicine.
• US9012494B2
  申请人：——

  公开号：US9012494B2

  公开（公告）日：2015-04-21
• US9302987B2
  申请人：——

  公开号：US9302987B2

  公开（公告）日：2016-04-05