4-三氟甲氧基苯乙胺 | 170015-99-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-三氟甲氧基苯乙胺
• 中文别名: 2-[4-(三氟甲氧基)苯基]乙胺；对三氟甲氧基苯乙胺
• 英文名称: 2-[4-(trifluoromethoxy)phenyl]ethylamine
• 英文别名: 2-(4-(trifluoromethoxy)phenyl)ethan-1-amine；2-(4-(trifluoromethoxy) phenyl)ethanamine；2-(4-(trifluoromethoxy)phenyl)ethanamine；2-[4-(trifluoromethoxy)phenyl]ethanamine；4-(trifluoromethoxy)-phenethylamine；2-(4-trifluoromethoxy-phenyl)-ethylamine
• CAS: 170015-99-3
• 化学式: C₉H₁₀F₃NO
• mdl: MFCD06212783
• 分子量: 205.18
• InChiKey: HHLGARPFXWIYTE-UHFFFAOYSA-N

物化性质

• 沸点：
  211℃
• 密度：
  1.233
• 闪点：
  81℃

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险品运输编号：
  2735
• 危险性描述：
  H314
• 储存条件：
  2-8°C

反应信息

• 作为反应物：
  描述：

  4-三氟甲氧基苯乙胺 在 phosphorus pentoxide 、 sodium carbonate 、 三氯氧磷 作用下， 以 氯仿 为溶剂， 反应 1.0h， 生成 7-(trifluoromethoxy)-3,4-dihydroisoquinolin-1(2H)-one
  参考文献：
  名称：

  17a-HYDROXYLASE/C17,20-LYASE INHIBITORS

  摘要：

  本发明提供了式（I）的化合物或其药学上可接受的盐，其中R1、R2、R3、R4、R5、R6、A和n如本文所定义。还提供了式（I）化合物的氘代衍生物。

  公开号：

  US20140045872A1
• 作为产物：
  描述：

  2-[4-(trifluoromethoxy)phenyl]acetamide 在 dimethyl sulfide borane 、 盐酸 、 水 、 碳酸氢钠 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 5.0h， 以29%的产率得到4-三氟甲氧基苯乙胺
  参考文献：
  名称：

  WO2006/73366

  摘要：

  公开号：

文献信息

• [EN] METALLOENZYME INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS DE MÉTALLOENZYMES
  申请人：VPS 3 INC

  公开号：WO2018165520A1

  公开（公告）日：2018-09-13

  Provided are compounds having HDAC6 modulating activity, and methods of treating diseases, disorders or symptoms thereof mediated by HDAC6.

  提供具有HDAC6调节活性的化合物，以及通过HDAC6介导的治疗疾病、疾病或症状的方法。
• [EN] ISOINDOLINE DERIVATIVES COMPRISING PHENYL GROUPS AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS<br/>[FR] DÉRIVÉS ISOINDOLINE COMPRENANT DES GROUPES PHÉNYLES ET LEUR UTILISATION DANS LE TRAITEMENT DE TROUBLES DE LA DOULEUR
  申请人：ASTRAZENECA AB

  公开号：WO2009145721A1

  公开（公告）日：2009-12-03

  Compounds of formula I are claimed, (I) wherein R1 is hydrogen, C1-3alkyl, Ci_3alkoxy, cyano, hydroxy or halo; and wherein said Ci^alkyl is optionally substituted by one or more substituents independently selected from hydroxy, Ci^alkoxy andfluoro; and said Ci^alkoxy is optionally substituted by one or morefluoro; m is 1 or 2; R2 and R3 is each and independently selected from hydrogen, Ci_4haloalkyl, Ci_4haloalkoxy, halo, Ci_4alkoxy, Ci_4alkyl and C3_7cycloalkyloxy; wherein said C3. γcycloalkyloxy is optionally substituted by one or morefluoro; and R2 and R3 may not both be hydrogen; D is C3_7cycloalkyl or C3_7heterocycloalkyl; and wherein said Cs-jcycloalkyl or Cs- γheterocycloalkyl may optionally be substituted by one or more X*; X4 is halo, Ci_3alkyl, Ci_3alkyl0Ci_3alkyl, Ci_3alkoxy, benzyl, Ci_4alkylsulfonyl, oxo, R4O(C=O), R5(C=O), or C5.6 heteroaryl; wherein said Cisalkyl, CisalkylOCisalkyl, Ci^alkoxy and C i^alkylsulfonyl is optionally substituted by one or more fluoro; R4 is Ci_4alkyl, Ci_4alkyl0Ci_4alkyl, C5_6cycloalkyl, or aryl; R5 is Ci_4alkyl, Ci_4fluoroalkyl or Cs_6 heteroaryl; Li is Ci_4alkylene or a bond; L2 is Ci_3alkylene; with the exception of the compound 2-(cyclohexylmethyl)-3-oxo-N-[2-(trifluoromethyl)benzyl]isoindoline-l-carboxamide; as well as a pharmaceutically acceptable salt, or isomer thereof, or a salt of said isomer. The compounds of the invention are useful in therapy such as pain therapy.

  公式I的化合物被要求，其中R1是氢，C1-3烷基，Ci_3烷氧基，氰基，羟基或卤素基；其中所述Ci^烷基可以选择性地被一个或多个取代基独立地选择自羟基，Ci^烷氧基和氟基；所述Ci^烷氧基可以选择性地被一个或多个氟基取代；m为1或2；R2和R3分别且独立地选择自氢，Ci_4卤代烷基，Ci_4卤代烷氧基，卤素，Ci_4烷氧基，Ci_4烷基和C3_7环烷氧基；其中所述C3. γ环烷氧基可以选择性地被一个或多个氟基取代；且R2和R3不能同时为氢；D为C3_7环烷基或C3_7杂环烷基；其中所述Cs-j环烷基或Cs-γ杂环烷基可以选择性地被一个或多个X*取代；X4为卤素，Ci_3烷基，Ci_3烷基0Ci_3烷基，Ci_3烷氧基，苄基，Ci_4烷基磺酰基，氧代，R4O(C=O)，R5(C=O)，或C5.6杂环烷基；其中所述Ci烷基，Ci烷基0Ci烷基，Ci^烷氧基和Ci^烷基磺酰基可以选择性地被一个或多个氟基取代；R4为Ci_4烷基，Ci_4烷基0Ci_4烷基，C5_6环烷基，或芳基；R5为Ci_4烷基，Ci_4氟烷基或Cs_6杂环烷基；Li为Ci_4烷基或键；L2为Ci_3烷基；除了化合物2-(环己基甲基)-3-氧代-N-[2-(三氟甲基)苄基]异吲哚啉-1-羧酰胺；以及其药学上可接受的盐，或其异构体的盐。本发明的化合物在治疗中如疼痛治疗中是有用的。
• [EN] ISOINDOLINE DERIVATIVES COMPRISING AN ADDITIONAL HETEROCYCLIC GROUP AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS<br/>[FR] DÉRIVÉS ISOINDOLINE COMPRENANT UN GROUPE HÉTÉROCYCLIQUE SUPPLÉMENTAIRE ET LEUR UTILISATION DANS LE TRAITEMENT DE TROUBLES DE LA DOULEUR
  申请人：ASTRAZENECA AB

  公开号：WO2009145718A1

  公开（公告）日：2009-12-03

  Compounds of formula I are claimed, wherein R1is hydrogen, C1_3alkyl, C1_3alkoxy, cyano, hydroxy or halo; wherein C1-3alkyl may optionally be substituted by one or more substituents independently selected from hydroxy, C1-3alkoxy orfluoro; and wherein Ci^alkoxy may optionally be substituted by one or more fluoro; m is 1 or 2; R2 and R3 is each and independently selected from hydrogen, Ci_4haloalkyl, C1_4haloalkoxy, halo, C1_4alkoxy, C1_4alkyl and C3_7cycloalkyloxy; and wherein said C3_7cycloalkyloxy may optionally be substituted by one or more fluoro; and whereas both R2 and R3 can not be hydrogen; Het is selected from any one of pyridinyl, pyrazinyl, isoxazolyl, pyrazolyl, indolyl, triazolyl and pyrimidinyl, wherein each such heteroaryl may optionally be substituted by one or more X4; X4 is halo, C1-3alkyl, C1-3alkyl0C1-3alkyl, -CH(CH3)-O-C(CH3)3,C1_4alkoxy, cyano, or hydroxyl, or Ci_2hydroxyalkyl;; and wherein said C1-3alkyl, C 1-3alkylOC1-3alkyl, -CH(CH3)-O-C(CH3)3, or C1_4alkoxy may each optionally be substituted by one or more fluoro; L1 is C1_4alkylene, which may optionally be fluorinated or hydroxylated; and L2 is C1-3alkylene; with the exception of the compounds: 2-[1-(1,5-dimethyl-lH-pyrazol-4-yl)ethyl]-5,7-dimethoxy-3-oxo-N-[2-(trifluoromethyl)benzyl]isoindoline-1-carboxamide; N-(4-fluorobenzyl)-3-oxo-2-(-pyridin-4-yletyl)isoindoline-1-carboxamide and N-(2-chlorobenzyl)-2[2-(1H-indol-3-yl)-1-methyletyl]-3-oxoisoindoline-1-carboxamide; The invention further relates to pharmaceutical compositions containing said compounds and to the use of said compounds in therapy.

  公式I的化合物被要求，其中R1是氢，C1-3烷基，C1-3烷氧基，氰基，羟基或卤素；其中C1-3烷基可以选择性地被一个或多个取代基取代，这些取代基独立地选自羟基，C1-3烷氧基或氟基；而C1-3烷氧基可以选择性地被一个或多个氟基取代；m为1或2；R2和R3分别且独立地选自氢，C1-4卤代烷基，C1-4卤代烷氧基，卤素，C1-4烷氧基，C1-4烷基和C3-7环烷氧基；其中所述的C3-7环烷氧基可以选择性地被一个或多个氟基取代；而且R2和R3都不能是氢；Het选自吡啶基，吡嗪基，异噁唑基，吡唑基，吲哚基，三唑基和嘧啶基中的任何一种，其中每种这样的杂环烷基可以选择性地被一个或多个X4取代；X4是卤素，C1-3烷基，C1-3烷氧基C1-3烷基，-CH(CH3)-O-C(CH3)3，C1-4烷氧基，氰基，或羟基，或C1-2羟基烷基；而所述的C1-3烷基，C1-3烷氧基C1-3烷基，-CH(CH3)-O-C(CH3)3，或C1-4烷氧基可以选择性地被一个或多个氟基取代；L1是C1-4烷基，可以选择性地被氟化或羟基化；而L2是C1-3烷基；除了以下化合物：2-[1-(1,5-二甲基-1H-吡唑-4-基)乙基]-5,7-二甲氧基-3-氧代-N-[2-(三氟甲基)苯甲基]异吲哚啉-1-羧酰胺；N-(4-氟苯甲基)-3-氧代-2-(-吡啶-4-基乙基)异吲哚啉-1-羧酰胺和N-(2-氯苯甲基)-2[2-(1H-吲哚-3-基)-1-甲基乙基]-3-氧代异吲哚啉-1-羧酰胺；本发明还涉及含有所述化合物的药物组合物以及所述化合物在治疗中的使用。
• [EN] ISOINDOLINE DERIVATIVES COMPRISING A CYANO GROUP AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS<br/>[FR] DÉRIVÉS D'ISO-INDOLINE COMPRENANT UN GROUPE CYANO ET LEUR UTILISATION DANS LE TRAITEMENT DE TROUBLES DE LA DOULEUR
  申请人：ASTRAZENECA AB

  公开号：WO2009145719A1

  公开（公告）日：2009-12-03

  Compounds of formula I are claimed, wherein R1 is hydrogen, C1_3alkyl, C1_3alkoxy, cyano, hydroxy or halo; and wherein said C1-3alkyl is optionally substituted by one or more substituents independently selected from hydroxy, C1_3alkoxy andfluoro; and said C1_3alkoxy is optionally substituted by one or more fluoro; m is 1, 2 or 3; R2 and R3 is each and independently selected from hydrogen, C1-4haloalkyl, C1-4haloalkoxy, halo, C1-4alkoxy, C1-4alkyl and C3_7Cycloalkyloxy; wherein said C3_7cycloalkyloxy is optionally substituted by one or more fluoro; and R2 and R3 may not both be hydrogen; L1 is C1-4alkylene, pentylene, or C3-6 cycloalkylene, wherein said C1-4alkylene, pentylene or C3-6 cycloalkylene may be optionally substituted by one or more X4; X4 is fluoro, C1_3alkyl, C3_7Cycloalkyl, C1_3alkylOCi_3alkyl, C1_3alkoxy, cyano, hydroxy, R4O(C=O)-, R4NR5(C=O)-, R4O(C=O)NR5-, R4NR5(C=O)NR5-, R4(C=O)O-, R4(C=O)NR5-, R4NR5(C=O)O-, R4NR5(C=O)NR5-, C5-6 heteroaryl(C=O), or C5-6 heteroaryl; R4 is C1-4 alkylOC1-4 alkyl, C5-6 cycloalkyl, aryl, or aryl-C1-2 alkyl; R5 is H or methyl; and wherein said C1-3 alkylOC1-3alkyl, C1-3alkoxy and C1-4alkylsulfonyl is optionally substituted by one or more fluoro; L2 is C1-3 alkylene, optionally substituted by one or more X4; as well as pharmaceutically acceptable salt, or isomer thereof, or a salt of said isomer. Compounds of the invention are useful in therapy, such as pain therapy.

  公式I的化合物被声明，其中R1是氢，C1_3烷基，C1_3烷氧基，氰基，羟基或卤素; 其中所述的C1-3烷基可以选择地被一个或多个独立选择自羟基，C1_3烷氧基和氟代基的取代基所取代; 所述的C1_3烷氧基可以选择地被一个或多个氟代基所取代; m为1、2或3; R2和R3分别且独立地选择自氢，C1-4卤代烷基，C1-4卤代烷氧基，卤素，C1-4烷氧基，C1-4烷基和C3_7环烷氧基; 其中所述的C3_7环烷氧基可以选择地被一个或多个氟代基所取代; R2和R3不能同时为氢; L1为C1-4烷基，戊烷基或C3-6环烷基，其中所述的C1-4烷基，戊烷基或C3-6环烷基可以选择地被一个或多个X4所取代; X4为氟代基，C1_3烷基，C3_7环烷基，C1_3烷基氧C1_3烷基，C1_3烷氧基，氰基，羟基，R4O(C=O)-，R4NR5(C=O)-，R4O(C=O)NR5-，R4NR5(C=O)NR5-，R4(C=O)O-，R4(C=O)NR5-，R4NR5(C=O)O-，R4NR5(C=O)NR5-，C5-6杂环芳基(C=O)，或C5-6杂环芳基; R4为C1-4烷氧基C1-4烷基，C5-6环烷基，芳基，或芳基-C1-2烷基; R5为H或甲基; 其中所述的C1-3烷氧基C1-3烷基，C1-3烷氧基和C1-4烷基磺酰基可以选择地被一个或多个氟代基所取代; L2为C1-3烷基，可以选择地被一个或多个X4所取代; 以及药学上可接受的盐，或其异构体，或所述异构体的盐。本发明的化合物在治疗中很有用，如疼痛治疗。
• [EN] ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS<br/>[FR] COMPOSES A BASE D'ISOINDOLONE ET LEUR UTILISATION COMME POTENTIALISATEURS DU RECEPTEUR METABOTROPIQUE DU GLUTAMATE
  申请人：ASTRAZENECA AB

  公开号：WO2006020879A1

  公开（公告）日：2006-02-23

  The present invention is directed to compounds of formula (I), wherein R1 is a ring and n is a number from 1 to 8. The invention also relates to use of the compounds in therapy as metabotropic glutamate receptor modulators, particularly in neurological and psychiatric disorders.

  本发明涉及式(I)的化合物，其中R1是一个环，n是1到8之间的数字。该发明还涉及将这些化合物用于治疗作为代谢型谷氨酸受体调节剂，特别是在神经系统和精神疾病中的用途。