2-(R)-(4-fluoro-2-methyl-phenyl)-2,3-dihydro-1H-pyridin-4-one | 414910-11-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(R)-(4-fluoro-2-methyl-phenyl)-2,3-dihydro-1H-pyridin-4-one
• 英文别名: (2R)-2-(4-fluoro-2-methylphenyl)-2,3-dihydro-1H-pyridin-4-one
• CAS: 414910-11-5
• 化学式: C₁₂H₁₂FNO
• 分子量: 205.232
• InChiKey: FYMFNUUBTYPGLS-GFCCVEGCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(R)-(4-fluoro-2-methyl-phenyl)-2,3-dihydro-1H-pyridin-4-one 在 palladium 10% on activated carbon 氢气 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 以95%的产率得到
  参考文献：
  名称：

  Chemical compounds

  摘要：

  公式（1）中，R代表卤原子或C1-4烷基；R1代表C1-4烷基；R2代表氢或C1-4烷基；R3代表氢或C1-4烷基；R4代表三氟甲基基团；R5代表氢、C1-4烷基或C(0)R6；R6代表C1-4烷基、C3-7环烷基、NH(C1-4烷基)或N(C1-4烷基)2；m为零或1至3的整数；n为1至3的整数及其药学上可接受的盐和溶剂化合物；以及它们的制备过程和在通过tachykinins介导的疾病治疗中的用途。

  公开号：

  US20040014770A1
• 作为产物：
  描述：

  2-(R)-(4-fluoro-2-methyl-phenyl)-4-oxo-3,4-dihydro-2H-pyridine-1-carboxylic acid (1R, 2S, 5R)-2-isopropyl-5-methyl-cyclohexyl ester 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 2-(R)-(4-fluoro-2-methyl-phenyl)-2,3-dihydro-1H-pyridin-4-one
  参考文献：
  名称：

  Chemical compounds

  摘要：

  公式（1）中，R代表卤原子或C1-4烷基；R1代表C1-4烷基；R2代表氢或C1-4烷基；R3代表氢或C1-4烷基；R4代表三氟甲基基团；R5代表氢、C1-4烷基或C(0)R6；R6代表C1-4烷基、C3-7环烷基、NH(C1-4烷基)或N(C1-4烷基)2；m为零或1至3的整数；n为1至3的整数及其药学上可接受的盐和溶剂化合物；以及它们的制备过程和在通过tachykinins介导的疾病治疗中的用途。

  公开号：

  US20040014770A1

文献信息

• [EN] CHEMICAL COMPOUNDS<br/>[FR] COMPOSES CHIMIQUES
  申请人：GLAXO GROUP LTD

  公开号：WO2002032867A1

  公开（公告）日：2002-04-25

  Formula (1) wherein R represents a halogen atom or a C1-4 alkyl group; R1 represents a C1-4 alkyl group; R2 represents hydrogen or a C1-4 alkyl group; R3 represents hydrogen, or a C1-4 alkyl group; R4 represents a trifluorometyl group; R5 represents hydrogen, a C1-4 alkyl group or C(0)R6; R6 represents C1-4 alkyl, C3-7 cycloalkyl, NH(C1-4 alkyl) or N(C1-4alkyl)2; m is zero or an integer from 1 to 3; n is an integer from1 to 3 and pharmaceutically acceptable salts and solvates thereof; to processes for their preparation and their use in the treatment of conditions mediated bytachykinins.

  公式（1），其中R代表卤素原子或C1-4烷基；R1代表C1-4烷基；R2代表氢或C1-4烷基；R3代表氢或C1-4烷基；R4代表三氟甲基基团；R5代表氢，C1-4烷基或C（0）R6；R6代表C1-4烷基，C3-7环烷基，NH（C1-4烷基）或N（C1-4烷基）2；m为零或1至3的整数；n为1至3的整数，以及其药学上可接受的盐和溶剂合物；其制备过程及其在治疗由速激肽介导的疾病中的应用。
• Piperidine derivatives and their use as antagonists of tachykinins
  申请人：Alvaro Giuseppe

  公开号：US20050096313A1

  公开（公告）日：2005-05-05

  The present invention relates to piperidine derivatives of formula (I): wherein R represents halogen or C 1-4 alkyl; R 1 represents hydrogen or C 1-4 alkyl; R 2 represents hydrogen, C 1-4 alkyl; R 3 represents hydrogen, C 1-4 alkyl; R 4 represents trifluoromethyl, C 1-4 alkyl, C 1-4 alkoxy, trifluoromethoxy or halogen; R 5 represents hydrogen, C 1-4 alkyl, C 3-7 cycloalkyl, C(O)R 6 or S(O) 2 R 6 ; R 6 represents C 1-4 alkyl or C 3-7 cycloalkyl; m is zero or an integer from 1 to 3; n is an integer from 1 to 3; p is an integer from 1 to 2; X and Y are independently C(O) or CH 2 ; provided that i) X and Y are not both C(O) and ii) when X and Y are both CH 2 and p is 1, R 5 is not hydrogen, C 1-4 alkyl or C(O)R 6 ; and pharmaceutically acceptable salts and solvates thereof, the process for their preparation and their use in the treatment of conditions mediated by tachykinins.

  本发明涉及式（I）的哌啶衍生物：其中R代表卤素或C1-4烷基；R1代表氢或C1-4烷基；R2代表氢，C1-4烷基；R3代表氢，C1-4烷基；R4代表三氟甲基，C1-4烷基，C1-4烷氧基，三氟甲氧基或卤素；R5代表氢，C1-4烷基，C3-7环烷基，C（O）R6或S（O）2R6；R6代表C1-4烷基或C3-7环烷基；m为零或1至3的整数；n为1至3的整数；p为1至2的整数；X和Y分别为C（O）或CH2；前提是i）X和Y不都是C（O）；以及ii）当X和Y都是CH2且p为1时，R5不是氢，C1-4烷基或C（O）R6；以及其药学上可接受的盐和溶剂合物，其制备过程及其在治疗缓解性肽介导的疾病中的用途。
• 1,4! - diazepane -1- carboxylic acid derivatives process for their preparation and their use as tachykinin antagonists
  申请人：——

  公开号：US20040127485A1

  公开（公告）日：2004-07-01

  The present invention relates to diazepine derivatives of formula (I) wherein R represents hydrogen or C 1-4 alkyl; R 1 represents hydrogen or C 1-4 alkyl; R 2 represents trifluoromethyl, C 1-4 alkyl, C 1-4 alkoxy, trifluoromethoxy or halogen; R 3 represents halogen or C 1-4 alkyl; R 4 represents hydrogen, halogen, C 1-4 alkyl or COR 6 ; R 5 represents hydrogen, C 1-4 alkyl or R 5 together within the R 1 represents C 3-7 cycloalkyl; R 6 represents hydroxy, amino, methylamino, dimethylamino, 5 membered heteroaryl group containing 1 to 3 heteroatoms selected independently from oxygen, sulphur and nitrogen or a 6 membered heteroaryl group containing 1 to 3 nitrogen atoms; m or n are independently zero or an integer from 1 to 3; X and Y are independently NR 7 or methylene; provided that when X is NR 7 , Y is methylene and when X is methylene, Y is NR 7 ; R 7 represents hydrogen, C 1-4 alkyl or C 3-7 cycloalkyl; and pharmaceutically acceptable salts and solvates thereof; to process for their preparation and their use in the treatment of condition mediated by tachykinins.

  本发明涉及公式（I）的苯二氮平衍生物，其中R代表氢或C1-4烷基；R1代表氢或C1-4烷基；R2代表三氟甲基，C1-4烷基，C1-4烷氧基，三氟甲氧基或卤素；R3代表卤素或C1-4烷基；R4代表氢，卤素，C1-4烷基或COR6；R5代表氢，C1-4烷基或R5与R1一起代表C3-7环烷基；R6代表羟基，氨基，甲基氨基，二甲基氨基，含有1至3个独立选择的氧，硫和氮杂原子的5元杂环芳基基团或含有1至3个氮原子的6元杂环芳基基团；m或n分别为零或1至3的整数；X和Y分别为NR7或亚甲基；但当X为NR7时，Y为亚甲基，当X为亚甲基时，Y为NR7；R7代表氢，C1-4烷基或C3-7环烷基；以及其药学上可接受的盐和溶剂合物；以及它们在治疗由快速激肽调节的疾病中的应用的制备方法。
• Piperidylcarboxamide derivatives and their use in the treatment of tachykinin-mediated diseases
  申请人：Alvaro Giuseppe

  公开号：US20050171153A1

  公开（公告）日：2005-08-04

  The present invention relates to piperidine derivatives of formula (I): wherein R, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , X, Y, m and n are as defined herein; and pharmaceutically acceptable salts and solvates thereof; the process for their preparation and their use in the treatment of conditions mediated by tachykinins.

  本发明涉及式（I）的哌啶衍生物：其中R、R1、R2、R3、R4、R5、R6、X、Y、m和n的定义如本文所述；以及其药学上可接受的盐和溶剂化物；其制备方法以及它们在治疗由快速激动肽介导的疾病中的应用。
• Piperidine derivatives
  申请人：Alvaro Giuseppe

  公开号：US20050176715A1

  公开（公告）日：2005-08-11

  The present invention relates to piperidine derivatives of formula (I): R represents halogen or C 1-4 alkyl R 1 represents C 1-4 alkyl; R 2 or R 3 independently represent hydrogen or C 1-4 alkyl; R 4 represents trifluoromethyl, C 1-4 alkyl, C 1-4 alkoxy, trifluoromethoxy or halogen; R 5 represents hydrogen, C 1-4 alkyl or C 3-7 cycloalkyl; R 6 is hydrogen and R 7 is a radical of formula (W): or R 6 is a radical of formula (W) and R 7 is hydrogen; X represents CH 2 , NR 5 or O; Y represents Nitrogen and Z is CH or Y represents CH and Z is Nitrogen; A represents C(O) or S(O)q, provided that when Y is nitrogen and Z is CH, A is not S(O) q ; m is zero or an integer from 1 to 3; n is an integer from 1 to 3; p and q are independently an integer from 1 to 2; and pharmaceutically acceptable salts and solvates thereof. The process for their preparation and their use in the treatment of a condition mediated by tachykinins.

  本发明涉及式（I）的哌啶衍生物：其中，R代表卤素或C1-4烷基，R1代表C1-4烷基，R2或R3独立地代表氢或C1-4烷基，R4代表三氟甲基、C1-4烷基、C1-4烷氧基、三氟甲氧基或卤素，R5代表氢、C1-4烷基或C3-7环烷基，R6为氢，R7为式（W）的基团；或者R6为式（W）的基团，R7为氢；X代表CH2、NR5或O；Y代表氮，Z为CH或Y代表CH，Z为氮；A代表C（O）或S（O）q，但当Y为氮且Z为CH时，A不是S（O）q；m为零或1至3的整数；n为1至3的整数；p和q独立地为1至2的整数；以及其药学上可接受的盐和溶剂化物。其制备过程及其在治疗由速激肽介导的疾病中的应用。