methyl 2-[3-(trifluoromethoxy)phenyl]acetate | 863679-43-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: methyl 2-[3-(trifluoromethoxy)phenyl]acetate
• 英文别名: methyl 3-trifluoromethoxyphenylacetate；3-(Trifluoromethoxy)phenylacetic acid methyl ester
• CAS: 863679-43-0
• 化学式: C₁₀H₉F₃O₃
• 分子量: 234.175
• InChiKey: OINCZNUCGWDCGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl 2-[3-(trifluoromethoxy)phenyl]acetate 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 作用下， 以 四氯化碳 为溶剂， 反应 3.0h， 以82%的产率得到methyl 2-bromo-2-[3-(trifluoromethoxy)phenyl]acetate
  参考文献：
  名称：

  1,3,4-Thiadiazole Compounds and Their Use in Treating Cancer

  摘要：

  化合物的化学式（I）：或其药用可接受的盐，已被描述。Q可以是吡啶并[3-yl]，6-氟吡啶并[3-yl]；R1可以是H；R2和R3可以分别是C1-C6烷基，或者R2和R3一起是—（CH2）3—；或者R1和R2一起可以是—（CH2）2—，而R3可以是—CH3；R4卤，—CH3，—OCH3，—OCHF2，—OCF3或—CN；n可以是0、1或2。化合物的化学式（I）可以抑制谷氨酸酶，例如GLS1。

  公开号：

  US20170333429A1

文献信息

• [EN] AZABICYCLO (3.1.0) HEXANE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS<br/>[FR] DERIVES AZABICYCLO (3.1.0) HEXANE UTILES COMME MODULATEURS DES RECEPTEURS D3 DE LA DOPAMINE
  申请人：GLAXO GROUP LTD

  公开号：WO2005080382A1

  公开（公告）日：2005-09-01

  The present invention relates to novel compounds of formula (I) or a pharmaceutically acceptable salt thereof, wherein G is selected from a group consisting of: phenyl, pyridyl, benzothiazolyl, indazolyl; p is an integer ranging from 0 to 5; R1 is independently selected from a group consisting of: halogen, hydroxy, cyano, C1-4alkyl, haloC1-4alkyl, C1-4alkoxy, haloC1-4alkoxy, C1-4alkanoyl; or corresponds to a group R5; R2 is hydrogen or C1-4alkyl; R3 is C1-4alkyl; R4 is hydrogen, or a phenyl group, a heterocyclyl group, a 5- or 6-membered heteroaromatic group, or a 8- to 11-membered bicyclic group, any of which groups is optionally substituted by 1, 2, 3 or 4 substituents selected from the group consisting of: halogen, cyano, C1-4alkyl, haloC1-4alkyl, C1-4alkoxy, C1-4alkanoyl; R5 is a moiety selected from the group consisting of: isoxazolyl, -CH2-N-pyrrolyl, 1,1-dioxido-2-isothiazolidinyl, thienyl, thiazolyl, pyridyl, 2-pyrrolidinonyl, and such a group is optionally substituted by one or two substituents selected from: halogen, cyano, C1-4alkyl, haloC1-4alkyl, C1-4alkoxy, C1-4alkanoyl; and when R1 is chlorine and p is 1, such R1 is not present in the ortho position with respect to the linking bond to the rest of the molecule; and when R1 corresponds to R5, p is 1; processes for their preparation, intermediates used in these processes, pharmaceutical compositions containing them and their use in therapy, as modulators of dopamine D3 receptors, e.g. to treat drug dependency or as antipsychotic agents.

  本发明涉及公式(I)的新化合物或其药学上可接受的盐，其中G选自以下组成的一组：苯基、吡啶基、苯并噻唑基、吲哚基；p是一个从0到5的整数；R1独立地选自以下组成的一组：卤素、羟基、氰基、C1-4烷基、卤代C1-4烷基、C1-4烷氧基、卤代C1-4烷氧基、C1-4烷酰基；或对应于一个R5基团；R2是氢或C1-4烷基；R3是C1-4烷基；R4是氢，或苯基、杂环基、5-或6-成员杂芳基，或8-到11-成员双环基，其中任何一个基团可以选择地被来自以下组成的1、2、3或4个取代基所取代：卤素、氰基、C1-4烷基、卤代C1-4烷基、C1-4烷氧基、C1-4烷酰基；R5是选自以下组成的基团：异噁唑基、-CH2-N-吡咯基、1,1-二氧化-2-异噻唑啉基、噻吩基、噻唑基、吡啶基、2-吡咯烷基，这样的基团可以选择地被一个或两个取代基所取代，所述取代基选自：卤素、氰基、C1-4烷基、卤代C1-4烷基、C1-4烷氧基、C1-4烷酰基；当R1是氯且p为1时，该R1不位于与分子其余部分的连接键的邻位；当R1对应于R5时，p为1；它们的制备方法，用于这些方法的中间体，含有它们的药物组合物以及它们作为多巴胺D3受体调节剂在治疗中的用途，例如用于治疗药物依赖或作为抗精神病药物。
• Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment and prevention of diseases
  申请人：Wang Yanjun Eric

  公开号：US20070293548A1

  公开（公告）日：2007-12-20

  Compositions and methods of using compositions for treatment of inflammatory diseases and immune disorders are provided. Allylamino compounds are disclosed which are inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and/or vascular adhesion protein 1 (VAP-1). The compounds have therapeutic utility in suppressing inflammation and inflammatory responses, and in treatment of several disorders, including multiple sclerosis and stroke.

  提供了用于治疗炎症性疾病和免疫紊乱的组合物及使用组合物的方法。公开了一种烯丙胺化合物，它们是半胱氨酸敏感胺氧化酶（SSAO）和/或血管粘附蛋白1（VAP-1）的抑制剂。这些化合物在抑制炎症和炎症反应方面具有治疗效用，并可用于治疗多发性硬化症和中风等多种疾病。
• Use of Azabicyclo Hexane Derivatives
  申请人：Hamprecht Dieter

  公开号：US20090036461A1

  公开（公告）日：2009-02-05

  The present invention provides a new use of a compound of formula (I) or a pharmaceutically acceptable salt or solvate salt thereof: wherein: G is selected from a group consisting of: phenyl, pyridyl, benzothiazolyl, indazolyl; p is an integer ranging from 0 to 5; R 1 is independently selected from a group consisting of: halogen, hydroxyl, cyano, C 1-4 alkyl, haloC 1-4 alkyl, C 1-4 alkoxy, haloC 1-4 alkoxy, C 1-4 alkanoyl; or corresponds to a group R 5 ; R 2 is hydrogen or C 1-4 alkyl; R 3 I s C 1-4 alkyl; R 4 is hydrogen, or a phenyl group, a heterocyclyl group, a 5- or 6-membered heteroaromatic group, or a 8- to 11-membered bicyclic group, any of which groups is optionally substituted by 1, 2, 3 or 4 substituents selected from the group consisting of: halogen, cyano, C 1-4 alkyl, haloC 1-4 alkyl, C 1-4 alkoxy, C 1-4 alkanoyl; R 5 is a moiety selected from the group consisting of: isoxazolyl, —CH 2 —N-pyrrolyl, 1,1-dioxido-2-isothiazolidinyl, thienyl, thiazolyl, pyridyl, 2-pyrrolidinonyl, and such a group is optionally substituted by one or two substituents selected from: halogen, cyano, C 1-4 alkyl, haloC 1-4 alkyl, C 1-4 alkoxy, C 1-4 alkanoyl; and when R 1 is chlorine and p is 1, such R 1 is not present in the ortho position with respect to the linking bond to the rest of the molecule; and when R 1 corresponds to R 5 , p is 1; in the manufacture of a medicament for the treatment of a somatoform disorder such as body dysmorphic disorder or hyperchondriasis, bulimia nervosa, anorexia nervosa, binge eating, paraphilia and nonparaphilic sexual addictions, Sydeham's chorea, torticollis, autism, a movement disorder including Tourette's syndrome; and in the manufacture of a medicament for the treatment of premature ejaculation.

  本发明提供了化合物(I)或其药学上可接受的盐或溶剂盐的新用途：其中：G选择自苯基、吡啶基、苯并噻唑基、吲哚基的群组;p为0至5的整数；R1独立地选择自卤素、羟基、氰基、C1-4烷基、卤代C1-4烷基、C1-4烷氧基、卤代C1-4烷氧基、C1-4酰基；或对应于R5基团；R2为氢或C1-4烷基；R3为C1-4烷基；R4为氢、苯基、杂环基、5-或6-成员杂芳基、或8-至11-成员双环基中的任何一种，其中任何一种基团均可选地被1、2、3或4个来自卤素、氰基、C1-4烷基、卤代C1-4烷基、C1-4烷氧基、C1-4酰基的取代基所取代；R5为从异恶唑基、—CH2—N-吡咯基、1,1-二氧化-2-异噻唑烷基、噻唑基、吡啶基、2-吡咯烷酰基中选择的基团，并且此类基团可选地被1或2个来自卤素、氰基、C1-4烷基、卤代C1-4烷基、C1-4烷氧基、C1-4酰基的取代基所取代；当R1为氯且p为1时，此类R1不位于与分子其余部分的连接键的正交位置；当R1对应于R5时，p为1；用于制造治疗躯体形式障碍（如身体畸形障碍或健忘症）、暴食症、厌食症、暴饮暴食、性变态和非性变态性瘾症、辛德汉舞蹈病、斜颈、自闭症、包括图雷特综合症在内的运动障碍的药物；以及用于制造治疗早泄的药物。
• Azabicyclo (3.1.0.) hexane derivatives useful as modulators of dopamine d3 receptors
  申请人：Arista Luca

  公开号：US20070142438A1

  公开（公告）日：2007-06-21

  The present invention relates to novel compounds of formula (I) or a pharmaceutically acceptable salt thereof: 1. wherein G is selected from a group consisting of: phenyl, pyridyl, benzothiazolyl, indazolyl; p is an integer ranging from 0 to 5; R 1 is independently selected from a group consisting of: halogen, hydroxy, cyano, C 1-4 alkyl, haloC 1-4 alkyl, C 1-4 alkoxy, halo 1-4 alkoxy, C 1-4 alkanoyl; or corresponds to a group R 5 ; R 2 is hydrogen or C 1-4 alkyl; R 3 is C 1-4 alkyl; R 4 is hydrogen, or a phenyl group, a heterocyclyl group, a 5- or 6-membered heteroaromatic group, or a 8- to 11-membered bicyclic group, any of which groups is optionally substituted by 1, 2, 3 or 4 substituents selected from the group consisting of: halogen, cyano, C 1-4 alkyl, haloC 1-4 alkyl, C 1-4 alkoxy, C 1-4 alkanoyl; R 5 is a moiety selected from the group consisting of: isoxazolyl, —CH 2 —N-pyrrolyl, 1,1-dioxido-2-isothiazolidinyl, thienyl, thiazolyl, pyridyl, 2-pyrrolidinonyl, and such a group is optionally substituted by one or two substituents selected from: halogen, cyano, C 1-4 alkyl, halo 1-4 alkyl, C 1-4 alkoxy, C 1-4 alkanoyl; and when R 1 is chlorine and p is 1, such R 1 is not present in the ortho position with respect to the linking bond to the rest of the molecule; and when R 1 corresponds to R 5 , p is 1; or a salt thereof which are useful as modulators of dopamine D 3 receptors, e.g. to treat drug dependency or as antipsychotic agents.

  本发明涉及公式（I）的新化合物或其药学上可接受的盐：1.其中G选自以下组中的一组：苯基，吡啶基，苯并噻唑基，吲哚基；p为0至5的整数；R1独立地选自以下组中的一组：卤素，羟基，氰基，C1-4烷基，卤代C1-4烷基，C1-4烷氧基，卤代1-4烷氧基，C1-4酰基；或对应于R5基团；R2为氢或C1-4烷基；R3为C1-4烷基；R4为氢，苯基，杂环基，5-或6-成员杂芳基，或8-至11-成员双环基中的一种，其中任何一种基团均可选择性地被1、2、3或4个来自以下组的取代基所取代：卤素，氰基，C1-4烷基，卤代C1-4烷基，C1-4烷氧基，C1-4酰基；R5是从以下组中选择的一部分：异噁唑基，-CH2-N-吡咯基，1,1-二氧化-2-异硫氮基，噻唑基，噻唑基，吡啶基，2-吡咯烷基，这样的基团可以选择地被一个或两个取代基所取代：卤素，氰基，C1-4烷基，卤代1-4烷基，C1-4烷氧基，C1-4酰基；当R1为氯且p为1时，该R1不位于与分子的其余部分的连接键的邻位上；当R1对应于R5时，p为1；或其盐，它们可用作多巴胺D3受体的调节剂，例如用于治疗药物依赖或作为抗精神病药物。
• INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES
  申请人：WANG Eric Yanjun

  公开号：US20110269811A1

  公开（公告）日：2011-11-03

  Compositions and methods of using compositions for treatment of inflammatory diseases and immune disorders are provided. Allylamino compounds are disclosed which are inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and/or vascular adhesion protein 1 (VAP-1). The compounds have therapeutic utility in suppressing inflammation and inflammatory responses, and in treatment of several disorders, including multiple sclerosis and stroke.

  提供了治疗炎症性疾病和免疫紊乱的组合物和使用组合物的方法。披露了抑制半胱氨酸敏感胺氧化酶（SSAO）和/或血管黏附蛋白1（VAP-1）的丙烯氨基化合物。这些化合物在抑制炎症和炎症反应以及治疗多种疾病，包括多发性硬化和中风方面具有治疗效用。