1-[(S)-1-(4-fluorophenyl)ethyl]piperidin-2-one | 937026-11-4

• 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: 1-[(S)-1-(4-fluorophenyl)ethyl]piperidin-2-one
• 英文别名: 1-[1S-(4-fluorophenyl)ethyl]piperidin-2-one；1-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-2-one
• CAS: 937026-11-4
• 化学式: C₁₃H₁₆FNO
• 分子量: 221.275
• InChiKey: MDDTVAGKKLUCMN-JTQLQIEISA-N

物化性质

• 沸点：
  357.0±25.0 °C(Predicted)
• 密度：
  1.141±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-[(S)-1-(4-fluorophenyl)ethyl]piperidin-2-one 在 三甲基氯硅烷 、 四甲基乙二胺 、 碘 作用下， 以 甲苯 为溶剂， 反应 1.0h， 生成 1-[1-(4-fluorophenyl)ethyl]-3-iodopiperidin-2-one
  参考文献：
  名称：

  EP2019094

  摘要：

  公开号：
• 作为产物：
  描述：

  5-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]pentanamide 在 potassium tert-butylate 、 碳酸氢钠 作用下， 以 甲基叔丁基醚 为溶剂， 反应 0.17h， 生成 1-[(S)-1-(4-fluorophenyl)ethyl]piperidin-2-one
  参考文献：
  名称：

  EP1950211

  摘要：

  公开号：

文献信息

• ONE-POT METHODS FOR PREPARING CINNAMIDE DERIVATIVES
  申请人：Shimomura Naoyuki

  公开号：US20080306272A1

  公开（公告）日：2008-12-11

  A compound represented by the following formula ( 1 ): wherein R represents a 4-fluorophenyl group and the like; Q represents —CH(CH 3 )— and the like; and n represents 1 and the like and a pharmaceutically acceptable salt thereof can be prepared in one-pot by reacting a compound represented by the following formula ( 2 ): wherein R 1 represents a 4-fluorophenyl group and the like; and Q and n have the same meaning as described above, with 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde in the presence of a base and, if necessary, removing a protecting group.

  可以通过在碱存在的情况下，将以下公式（2）所代表的化合物与3-甲氧基-4-(4-甲基-1H-咪唑-1-基)苯甲醛反应，并在必要时去除保护基，从而在一个锅中制备以下公式（1）所代表的化合物，其中R代表4-氟苯基等；Q代表—CH(CH3)—等；n代表1等，以及其药学上可接受的盐。
• PROCESS FOR PRODUCTION OF CINNAMIDE DERIVATIVE
  申请人：Shimomura Naoyuki

  公开号：US20090270623A1

  公开（公告）日：2009-10-29

  A compound (8) represented by the formula: (8) wherein R 1 represents a 6- to 14-membered aromatic hydrocarbon ring group which may have a substituent; and n represents 0 to 2, can be produced with good efficiency by reacting a compound (3) represented by the formula: (3) wherein R 1 and n are as defined above; and Q represents a single bond or —CH(Y)— where Y represents a hydrogen atom or a C1-6 alkyl group] with 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde in the presence of a base.

  式（8）表示的化合物为：（8）其中R1代表一个6-至14-成员的芳香烃环基团，可以具有取代基；n表示0至2，可以通过在碱存在下将式（3）表示的化合物与3-甲氧基-4-(4-甲基-1H-咪唑-1-基)苯甲醛反应而高效地产生，式（3）中R1和n的定义如上；Q代表单键或—CH(Y)—，其中Y代表氢原子或C1-6烷基团。
• HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE
  申请人：Kimura Teiji

  公开号：US20090203697A1

  公开（公告）日：2009-08-13

  Disclosed is a compound represented by the formula (I) below or a pharmacologically acceptable salt thereof. Also disclosed is a use of the compound or salt as a pharmaceutical product. (In the formula, Ar 1 represents a triazolyl group or the like which may be substituted with a C 1-6 alkyl group or the like; Ar 2 represents a phenyl group or the like which may be substituted with a C 1-6 alkoxy group or the like; X 1 represents —CR 3 ═CR 4 — (wherein R 3 and R 4 respectively represent a C 1-6 alkyl group or the like); and R 1 and R 2 respectively represent a C 1-6 alkyl group or the like.)

  本发明公开了下式(I)所表示的化合物或其药学上可接受的盐。同时，本发明还公开了该化合物或盐作为药物产品的用途。（其中，Ar1代表三唑基或类似物，可以用C1-6烷基或类似物取代；Ar2代表苯基或类似物，可以用C1-6烷氧基或类似物取代；X1代表—CR3═CR4—（其中，R3和R4分别代表C1-6烷基或类似物）；而R1和R2分别代表C1-6烷基或类似物。）
• PROCESS FOR PRODUCTION OF CINNAMAMIDE DERIVATIVE
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP1950211A1

  公开（公告）日：2008-07-30

  A compound (8) represented by the formula: (8) wherein R1 represents a 6- to 14-membered aromatic hydrocarbon ring group which may have a substituent; and n represents 0 to 2, can be produced with good efficiency by reacting a compound (3) represented by the formula: (3) wherein R1 and n are as defined above; and Q represents a single bond or -CH(Y)- where Y represents a hydrogen atom or a C1-6 alkyl group] with 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde in the presence of a base.

  由以下式子表示的化合物 (8)(8) 其中 R1 代表 6 至 14 元芳香烃环基，该环基可能具有取代基；n 代表 0 至 2：(3) 其中 R1 和 n 如上定义；Q 代表单键或-CH(Y)- 其中 Y 代表氢原子或 C1-6 烷基]与 3-甲氧基-4-(4-甲基-1H-咪唑-1-基)苯甲醛在碱存在下反应。
• ONE-POT PRODUCTION PROCESS FOR CINNAMIDE DERIVATIVE
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP2147917A1

  公开（公告）日：2010-01-27

  A compound represented by the formula (1) below or a pharmaceutically acceptable salt thereof is able to be produced in one pot by reacting a compound represented by the formula (2) below with 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde in the presence of a base and, if necessary, removing a protecting group. (In the formula (2), R1 represents a 4-fluorophenyl group or the like; Q represents -CH(CH3)-or the like; and n represents 1 or the like.) (In the formula (1), R represents a 4-fluorophenyl group or the like; Q and n are as defined above.)

  将下式（2）所代表的化合物与 3-甲氧基-4-(4-甲基-1H-咪唑-1-基)苯甲醛在碱存在下反应，并在必要时除去保护基团，即可一锅制得下式（1）所代表的化合物或其药学上可接受的盐。(在式 (2) 中，R1 代表 4-氟苯基或类似基团；Q 代表-CH(CH3)-或类似基团；n 代表 1 或类似基团）。(在式 (1) 中，R 代表 4-氟苯基或类似基团；Q 和 n 如上文所定义）。