1-(2-Chloro-4-Fluorophenyl)-2-(5-Trifluoromethyl-2-Pyridinyl)Ethanone | 372122-68-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2-Chloro-4-Fluorophenyl)-2-(5-Trifluoromethyl-2-Pyridinyl)Ethanone
• 英文别名: 1-(2-Chloro-4-fluorophenyl)2-(5-trifluoromethyl-2-pyridinyl)ethanone；1-(2-chloro-4-fluorophenyl)-2-[5-(trifluoromethyl)pyridin-2-yl]ethanone
• CAS: 372122-68-4
• 化学式: C₁₄H₈ClF₄NO
• 分子量: 317.67
• InChiKey: YBIGWWBVIIEYLO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  30
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-(2-Chloro-4-Fluorophenyl)-2-(5-Trifluoromethyl-2-Pyridinyl)Ethanone 在 羟胺 、 三乙胺 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以28%的产率得到1-(2-chloro-4-fluorophenyl)-2-(5-trifluoromethyl-2-pyridinyl)ethanone oxime
  参考文献：
  名称：

  PROCESS FOR THE PREPARATION OF CHEMICAL COMPOUNDS

  摘要：

  该发明提供了一种制备式（I）化合物及其药学上可接受的衍生物的过程，其中：R0和R1独立地选自H、卤素、C1-6烷基、C1-6烷氧基或C1-6烷氧基，其被一个或多个氟原子取代；R2为H、C1-6烷基、C1-6烷基被一个或多个氟原子取代、C1-6烷氧基、C1-6羟基烷基、SC1-6烷基、C（O）H、C（O）C1-6烷基、C1-6烷基磺酰基、C1-6烷氧基被一个或多个氟原子取代、卤素、CN、CONR4R5、CO2H、CO2C1-6烷基或NHSO2R4，R3为H或苯基，其被SO2C1-6烷基或SO2NH2取代；R4和R5独立地选自H、C1-6烷基、苯基、苯基被一个或多个原子或基团R6取代，或与它们所连接的氮原子一起形成饱和的4到8个成员环；R6为卤素、C1-6烷基、C1-6烷氧基或C1-6烷氧基，其被一个或多个氟原子取代；该过程包括在催化剂和溶剂的存在下重排式（11）的环氮丙烷或其保护衍生物，其中R0到R3如式（I）所定义，或其保护衍生物。

  公开号：

  US20030212275A1
• 作为产物：
  描述：

  2-氯-4-氟苯乙酮 、 2-氯-5-三氟甲基吡啶 在 sodium hydride 、 水 作用下， 以 乙二醇二甲醚 为溶剂， 反应 1.0h， 以67%的产率得到1-(2-Chloro-4-Fluorophenyl)-2-(5-Trifluoromethyl-2-Pyridinyl)Ethanone
  参考文献：
  名称：

  PROCESS FOR THE PREPARATION OF CHEMICAL COMPOUNDS

  摘要：

  该发明提供了一种制备式（I）化合物及其药学上可接受的衍生物的过程，其中：R0和R1独立地选自H、卤素、C1-6烷基、C1-6烷氧基或C1-6烷氧基，其被一个或多个氟原子取代；R2为H、C1-6烷基、C1-6烷基被一个或多个氟原子取代、C1-6烷氧基、C1-6羟基烷基、SC1-6烷基、C（O）H、C（O）C1-6烷基、C1-6烷基磺酰基、C1-6烷氧基被一个或多个氟原子取代、卤素、CN、CONR4R5、CO2H、CO2C1-6烷基或NHSO2R4，R3为H或苯基，其被SO2C1-6烷基或SO2NH2取代；R4和R5独立地选自H、C1-6烷基、苯基、苯基被一个或多个原子或基团R6取代，或与它们所连接的氮原子一起形成饱和的4到8个成员环；R6为卤素、C1-6烷基、C1-6烷氧基或C1-6烷氧基，其被一个或多个氟原子取代；该过程包括在催化剂和溶剂的存在下重排式（11）的环氮丙烷或其保护衍生物，其中R0到R3如式（I）所定义，或其保护衍生物。

  公开号：

  US20030212275A1

文献信息

• Process for the preparation of chemical compounds
  申请人：SmithKline Beecham Corporation

  公开号：US06756498B2

  公开（公告）日：2004-06-29

  The invention provides a process for preparing a compound of formula (I) and pharmaceutically acceptable derivatives thereof wherein: R0 and R1 are independently selected from H, halogen, C1-6alkyl, C1-6alkoxy, or C1-6alkoxy substituted by one or more fluorine atoms; R2 is H, C1-6alkyl, C1-6alkyl substituted by one or more fluorine atoms, C1-6alkoxy, C1-6hydroxyalkyl, SC1-6alkyl, C(O)H, C(O)C1-6alkyl, C1-6alkylsulfonyl, C1-6alkoxy substituted by one or more fluorine atoms, halogen, CN, CONR4R5, CO2H, CO2C1-6alkyl, or NHSO2R4; R3 is H or phenyl substituted by SO2C1-6alkyl or SO2NH2; R4 and R5 are independently selected from H, C1-6alkyl, phenyl, phenyl substituted by one or more atoms or groups R6, or together with the nitrogen atom to which they are attached form a saturated 4 to 8 membered ring R6 is halogen, C1-6alkyl, C1-6alkoxy or C1-6alkoxy substituted by one or more fluorine atoms; which comprises rearrangement of an azirine of formula (II)  wherein R0 to R3 are as defined for formula (I), or a protected derivative thereof, in the presence of a catalyst and a solvent.

  这项发明提供了一种制备式（I）化合物及其药学上可接受的衍生物的过程，其中：R0和R1独立地选择自H，卤素，C1-6烷基，C1-6烷氧基或C1-6烷氧基上被一个或多个氟原子取代的基团；R2是H，C1-6烷基，C1-6烷基上被一个或多个氟原子取代，C1-6烷氧基，C1-6羟基烷基，SC1-6烷基，C（O）H，C（O）C1-6烷基，C1-6烷基磺酰基，C1-6烷氧基上被一个或多个氟原子取代，卤素，CN，CONR4R5，CO2H，CO2C1-6烷基或NHSO2R4；R3是H或苯基上被SO2C1-6烷基或SO2NH2取代；R4和R5独立地选择自H，C1-6烷基，苯基，苯基上被一个或多个原子或基团R6取代，或者与它们连接的氮原子形成饱和的4到8环；R6是卤素，C1-6烷基，C1-6烷氧基或C1-6烷氧基上被一个或多个氟原子取代的基团；该过程包括在催化剂和溶剂的存在下重排式（II）的环氧丙烷，其中R0到R3与式（I）中定义的相同，或者它们的保护衍生物。
• PROCESS FOR THE PREPARATION OF PYRAZOLOPYRIDINE DERIVATIVES
  申请人：GLAXO GROUP LIMITED

  公开号：EP1276742A2

  公开（公告）日：2003-01-22
• US6756498B2
  申请人：——

  公开号：US6756498B2

  公开（公告）日：2004-06-29
• [EN] PROCESS FOR THE PREPARATION OF CHEMICAL COMPOUNDS<br/>[FR] PROCEDE DE PREPARATION DE COMPOSES CHIMIQUES
  申请人：GLAXO GROUP LTD

  公开号：WO2001083479A2

  公开（公告）日：2001-11-08

  The invention provides a process for preparing a compound of formula (I) and pharmaceutically acceptable derivatives thereof wherein: R?o and R1¿ are independently selected from H, halogen, C¿1-6?alkyl, C1-6alkoxy, or C1-6alkoxy substituted by one or more fluorine atoms; R?2¿ is H, C¿1-6?alkyl, C1-6alkyl substituted by one or more fluorine atoms, C1-6alkoxy, C1-6hydroxyalkyl, SC1-6alkyl, C(O)H, C(O)C1-6alkyl, C1-6alkylsulfonyl, C1-6alkoxy substituted by one or more fluorine atoms, halogen, CN, CONR?4R5, CO¿2H, CO2C1-6alkyl, or NHSO2R4; R3 is H or phenyl substituted by SO¿2?C1-6alkyl or SO2NH2; R?4 and R5¿ are independently selected from H, C¿1-6?alkyl, phenyl, phenyl substituted by one or more atoms or groups R?6¿, or together with the nitrogen atom to which they are attached form a saturated 4 to 8 membered ring R6 is halogen, C¿1-6?alkyl, C1-6alkoxy or C1-6alkoxy substituted by one or more fluorine atoms; which comprises rearrangement of an azirine of formula (II) wherein R?0 to R3¿ are as defined for formula (I), or a protected derivative thereof, in the presence of a catalyst and a solvent.
• PROCESS FOR THE PREPARATION OF CHEMICAL COMPOUNDS
  申请人：——

  公开号：US20030212275A1

  公开（公告）日：2003-11-13

  The invention provides a process for preparing a compound of formula (I) and pharmaceutically acceptable derivatives thereof wherein: R 0 and R 1 are independently selected from H. halogen, C 1-6 alkyl, C 1-6 alkoxy. or C 1-6 alkoxy substituted by one or more fluorine atoms; R 2 is H, C 1-6 alkyl. C 1-6 alkyl substituted by one or more fluorine atoms. C 1-6 alkoxy, C 1-6 hydroxyalkyl. SC 1-6 alkyl. C(O)H. C(O)C 1-6 alkyl. C 1-6 alkylsulfonyl. C 1-6 alkoxy substituted by one or more fluorine atoms, halogen. CN, CONR 4 R 5 , CO 2 H, CO 2 C 1-6 alkyl, or NHSO 2 R 4 , R 3 is H or phenyl substituted by SO 2 C 1-6 alkyl or SO 2 NH 2 : R 4 and R 5 are independently selected from H, C 1-6 alkyl, phenyl, phenyl substituted by one or more atoms or groups R 6 , or together with the nitrogen atom to which they are attached form a saturated 4 to 8 membered ring R 6 is halogen, C 1-6 alkyl, C 1-6 alkoxy or C 1-6 alkoxy substituted by one or more fluorine atoms; which comprises rearrangement of an azirine of formula (11) wherein R 0 to R 3 are as defined for formula (I), or a protected derivative thereof, in the presence of a catalyst and a solvent. 1

  该发明提供了一种制备式（I）化合物及其药学上可接受的衍生物的过程，其中：R0和R1独立地选自H、卤素、C1-6烷基、C1-6烷氧基或C1-6烷氧基，其被一个或多个氟原子取代；R2为H、C1-6烷基、C1-6烷基被一个或多个氟原子取代、C1-6烷氧基、C1-6羟基烷基、SC1-6烷基、C（O）H、C（O）C1-6烷基、C1-6烷基磺酰基、C1-6烷氧基被一个或多个氟原子取代、卤素、CN、CONR4R5、CO2H、CO2C1-6烷基或NHSO2R4，R3为H或苯基，其被SO2C1-6烷基或SO2NH2取代；R4和R5独立地选自H、C1-6烷基、苯基、苯基被一个或多个原子或基团R6取代，或与它们所连接的氮原子一起形成饱和的4到8个成员环；R6为卤素、C1-6烷基、C1-6烷氧基或C1-6烷氧基，其被一个或多个氟原子取代；该过程包括在催化剂和溶剂的存在下重排式（11）的环氮丙烷或其保护衍生物，其中R0到R3如式（I）所定义，或其保护衍生物。