4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-2,6-dimethylaniline | 1992-04-7

• 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: 4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-2,6-dimethylaniline
• 英文别名: 4-(1-Hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-2,6-dimethylaniline；2-(4-amino-3,5-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol；4-(hexafluoro-2-hydroxy-2-propyl)-2,6-dimethylaniline；2,6-dimethyl-4-[1-hydroxy-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]aniline；2,6-dimethyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)aniline；2-(4-amino-3,5-dimethylphenyl)-1,1,1,3,3,3-hexafluoro-2-propanol
• CAS: 1992-04-7
• 化学式: C₁₁H₁₁F₆NO
• 分子量: 287.205
• InChiKey: QDSNVPNDMVZVQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-2,6-dimethylaniline 在 palladium 10% on activated carbon 吡啶 、 氢气 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 N-[2,6-dimethyl-4-{1-hydroxy-2,2,2-trifluoro-1-(trifluoromethyl)-ethyl}phenyl] 3-(benzoylamino)benzamide
  参考文献：
  名称：

  INSECTICIDAL AND BACTERICIDAL COMPOSITION

  摘要：

  提供一种同时控制作物疾病和昆虫害的杀虫杀菌组合物，通过结合一种杀虫活性成分和一种杀菌活性成分实现。该杀虫杀菌组合物的特征在于包括由通式（1）或（2）表示的化合物和由通式（3）或（4）表示的化合物作为活性成分。在该通式中，A1、A2、A3和A4独立地表示碳原子、氮原子或氧化氮原子；G1和G2独立地表示氧原子或硫原子；R1和R2独立地表示氢原子或C1-C4烷基基团；Xs可以相同也可以不同，表示氢原子、卤素原子或三氟甲基基团；Q1表示取代基，如苯基、杂环基等；Q2表示取代基，如苯基、杂环基等。

  公开号：

  EP1938685A1
• 作为产物：
  描述：

  六氟丙酮 、 2,6-二甲基苯胺 在 对甲苯磺酸 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 为溶剂， 反应 12.0h， 生成 4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-2,6-dimethylaniline
  参考文献：
  名称：

  含六氟异丙醇基团的氟苯二酰胺新型类似物的合成和杀虫活性

  摘要：

  设计并合成了十个新颖的含有六氟异丙醇部分的氟苯二酰胺类似物。检查了它们对粘虫（Pseudaletia separata Walker）的杀虫活性，并与市售产品flubendiamide进行了比较。化合物7b显示出与氟苯二酰胺几乎相同的杀虫活性。

  DOI：

  10.1002/cjoc.201200215

文献信息

• [EN] FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF<br/>[FR] DERIVES DE LA PYRIMIDIN-4(3H)-ONE A CYCLES FUSIONNES, SPN PROCEDE DE PREPARATION ET SES UTILISATIONS
  申请人：SANKYO CO

  公开号：WO2003106435A1

  公开（公告）日：2003-12-24

  AbstractNovel compounds of the following formula (I) and pharmacologically acceptable salt and esters thereof can modulate LXR function and as a result show excellent anti-arteriosclerotic and anti-inflammatory activity:wherein:A represents aryl or heteroaryl;R1, R2 and R3 are the same or different and each represents hydrogen, hydroxyl, nitro, cyano, amino, halogen, carboxy, carbamoyl, mercapto, alkyl, haloalkyl, alkylcarbonyloxy, alkoxy, alkylthio, alkylsulfinyl, alkylsulfonyl, alkylamino, dialkylamino, alkylcarbonylamino, N-(alkylcarbonyl)-N-(alkyl)amino, alkoxycarbonylamino, N-(alkoxycarbonyl)-N-(alkyl)amino, alkylsulfonylamino, N-(alkylsulfonyl)-N-(alkyl)amino, haloalkylsulfonylamino, N-(haloalkylsulfonyl)-N-(alkyl)amino, alkylcarbonyl, alkoxycarbonyl, alkylaminocarbonyl or dialkylaminocarbonyl group, or R1 and R2 together are alkylenedioxy;R4 and R5 are the same or different and each represents hydrogen, hydroxyl, amino, halogen, mercapto, alkyl, haloalkyl, alkoxy, alkoxycarbonyl or alkylthio;X represents hydrogen, hydroxyl, halogen, alkoxy or haloalkoxy; andY represents an optionally substituted alkyl, cycloalkyl, heterocyclyl, aryl, cycloalkylalkyl, heterocyclylalkyl or aralkyl group.

  新化合物具有以下式（I）的结构，其药学上可接受的盐和酯可以调节LXR功能，从而表现出优秀的抗动脉粥样硬化和抗炎活性：其中：A代表芳基或杂环芳基；R1、R2和R3相同或不同，每个代表氢、羟基、硝基、氰基、氨基、卤素、羧基、氨基甲酰基、巯基、烷基、卤代烷基、烷基羰氧基、烷氧基、烷硫基、烷磺基、烷基氨基、二烷基氨基、烷基羰基氨基、N-（烷基羰基）-N-（烷基）氨基、烷氧羰基氨基、N-（烷氧羰基）-N-（烷基）氨基、烷磺酰氨基、N-（烷磺酰基）-N-（烷基）氨基、卤代烷基磺酰氨基、N-（卤代烷基磺酰基）-N-（烷基）氨基、烷基羰基、烷氧羰基、烷基氨基羰基或二烷基氨基羰基，或R1和R2一起是亚烷二氧基；R4和R5相同或不同，每个代表氢、羟基、氨基、卤素、巯基、烷基、卤代烷基、烷氧基、烷氧羰基或烷硫基；X代表氢、羟基、卤素、烷氧基或卤代烷氧基；Y代表可选择取代的烷基、环烷基、杂环烷基、芳基、环烷基烷基、杂环烷基烷基或芳基烷基。
• [EN] ROR GAMMA (RORY) MODULATORS<br/>[FR] MODULATEURS DU ROR GAMMA (RORY)
  申请人：LEAD PHARMA CEL MODELS IP B V

  公开号：WO2015082533A1

  公开（公告）日：2015-06-11

  The present invention relates to compounds according to Formula I: Wherein: A11 - A14 are N or CR11, CR12, CR13, CR14, respectively, with the proviso that no more than two of the four positions A can be simultaneously N; R1 is C(1-6)alkyl, C(3-6)cycloalkyl, C(3-6)cycloalkylC(1 -3)alkyl, (di)C(1-6)alkylamino, (di)C(3-6)cycloalkylamino or (di)(C(3-6)cycloalkylC(1 -3)alkyl)amino, with all carbon atoms of alkyl groups optionally substituted with one or more F and all carbon atoms of cycloalkyl groups optionally substituted with one or more F or methyl; R2 and R3 are independently H, F, methyl, ethyl, hydroxy, methoxy or R2 and R3 together is carbonyl, all alkyl groups, if present, optionally being substituted with one or more F; R4 is H or C(1-6)alkyl; R5 is H, hydroxyethyl, methoxyethyl, C(1-6)alkyl, C(6-10)aryl, C(6-10)arylC(1-3)alkyl, C(1 -9)heteroaryl, C(1-9)heteroarylC(1-3)alkyl, C(3-6)cycloalkyl, C(3-6)cycloalkylC(1 -3)alkyl, C(2-5)heterocycloalkyl or C(2-5)heterocycloalkylC(1-3)alkyl, all groups optionally substituted with one or more F, CI, C(1-2)alkyl, C(1-2)alkoxy or cyano; the sulfonyl group with R1 is represented by one of R7, R8 or R9; the remaining R6-RH are independently H, halogen, C(1-3)alkoxy, (di)C(1-3)alkylamino or C(1-6)alkyl, all of the alkyl groups optionally being substituted with one or more F; and Ri5 and Ri6 are independently H, C(1-6)alkyl, C(3-6)cycloalkyl, C(3-6)cycloalkylC(1-3)alkyl, C(6-10)aryl, C(6-10)arylC(1-3)alkyl, C(1-9)heteroaryl, C(1-9)heteroarylC(1-3)alkyl, C(2-5)heterocycloalkyl or C(2-5)heterocycloalkylC(1-3)alkyl, all groups optionally substituted with one or more F, CI, C(1-2)alkyl, C(1-2)alkoxy or cyano. The compounds can be used as inhibitors of RORy and are useful for the treatment of RORy mediated diseases.

  本发明涉及符合以下式I的化合物：其中：A11 - A14分别为N或CR11，CR12，CR13，CR14，但四个位置A中不超过两个可以同时为N；R1为C(1-6)烷基，C(3-6)环烷基，C(3-6)环烷基C(1-3)烷基，(双)C(1-6)烷基氨基，(双)C(3-6)环烷基氨基或(双)(C(3-6)环烷基C(1-3)烷基)氨基，烷基族的所有碳原子可选择性地被一个或多个F取代，环烷基族的所有碳原子可选择性地被一个或多个F或甲基取代；R2和R3独立地为H，F，甲基，乙基，羟基，甲氧基或R2和R3一起为羰基，所有烷基族（如果存在）可选择性地被一个或多个F取代；R4为H或C(1-6)烷基；R5为H，羟乙基，甲氧乙基，C(1-6)烷基，C(6-10)芳基，C(6-10)芳基C(1-3)烷基，C(1-9)杂环芳基，C(1-9)杂环芳基C(1-3)烷基，C(3-6)环烷基，C(3-6)环烷基C(1-3)烷基，C(2-5)杂环烷基或C(2-5)杂环烷基C(1-3)烷基，所有基团可选择性地被一个或多个F，CI，C(1-2)烷基，C(1-2)烷氧基或氰取代；与R1相连的磺酰基由R7，R8或R9之一表示；其余的R6-RH独立地为H，卤素，C(1-3)烷氧基，(双)C(1-3)烷基氨基或C(1-6)烷基，所有烷基族可选择性地被一个或多个F取代；Ri5和Ri6独立地为H，C(1-6)烷基，C(3-6)环烷基，C(3-6)环烷基C(1-3)烷基，C(6-10)芳基，C(6-10)芳基C(1-3)烷基，C(1-9)杂环芳基，C(1-9)杂环芳基C(1-3)烷基，C(2-5)杂环烷基或C(2-5)杂环烷基C(1-3)烷基，所有基团可选择性地被一个或多个F，CI，C(1-2)烷基，C(1-2)烷氧基或氰取代。这些化合物可用作RORγ的抑制剂，并且对于治疗RORγ介导的疾病是有用的。
• COMPOSITION FOR PREVENTING HARMFUL ORGANISMS
  申请人：Kawahara Nobuyuki

  公开号：US20090162453A1

  公开（公告）日：2009-06-25

  There is a harmful organism that cannot be controlled or is difficult to be controlled with the use of a single agent of a compound represented by the general formula (1) according to the invention, an insecticide, a miticide or a fungicide. Accordingly, an object of the invention is to provide a composition for preventing harmful organisms for efficiently controlling such a harmful organism. That is, the invention is directed to a composition for preventing harmful organisms, characterized by comprising the compound represented by the general formula (1) and other insecticides, miticides or fungicides as active ingredients, wherein, in the formula, A 1 , A 2 , A 3 and A 4 independently represent a carbon atom, a nitrogen atom or an oxidized nitrogen atom, G 1 and G 2 independently represent an oxygen atom or a sulfur atom; R 1 and R 2 independently represent a hydrogen atom or a C 1 to C 4 alkyl group; Xs may be the same or different and represent a hydrogen atom, a halogen atom or a trifluoromethyl group; Q 1 represents a substituent such as a phenyl group or a heterocyclic group; and Q 2 represents a substituent such as a phenyl group or a heterocyclic group.)

  这是一个用于有效控制无法用单一化合物代理根据发明所述的一般式（1）所代表的化合物，杀虫剂，杀螨剂或杀菌剂难以控制或难以控制的有害生物的对象。因此，本发明的目的是提供一种用于有效控制此类有害生物的组合物。 换句话说，本发明涉及一种用于预防有害生物的组合物，其特征在于包括一般式（1）所代表的化合物和其他杀虫剂，杀螨剂或杀菌剂作为活性成分， 其中，在该式中，A 1 ，A 2 ，A 3 和A 4 独立地表示碳原子，氮原子或氧化氮原子，G 1 和G 2 独立地表示氧原子或硫原子；R 1 和R 2 独立地表示氢原子或C 1 至C 4 烷基基团；Xs可以相同也可以不同，并表示氢原子，卤原子或三氟甲基基团；Q 1 表示取代基，如苯基或杂环基；Q 2 表示取代基，如苯基或杂环基。
• LXR modulators
  申请人：Tularik Inc.

  公开号：US06316503B1

  公开（公告）日：2001-11-13

  The invention provides compounds, compositions and methods for modulating the effects of LXR in a cell. The compounds and compositions are useful both as diagnostic indicators of LXR function and as pharmacologically active agents. The compounds and compositions find particular use in the treatment of disease states associated with cholesterol metabolism, particularly atherosclerosis and hypercholesterolemia.

  本发明提供了一种调节细胞中LXR效应的化合物、组合物和方法。这些化合物和组合物既可作为LXR功能的诊断指标，也可作为药理活性剂。这些化合物和组合物在治疗与胆固醇代谢相关的疾病状态，尤其是动脉粥样硬化和高胆固醇血症方面具有特殊用途。
• Omega-(4-polyfluoro-2-hydroxy-2-propyl)-2,3,6-substituted-phenoxy and
  申请人：Schering Corporation

  公开号：US04199597A1

  公开（公告）日：1980-04-22

  Omega-[4-(polyfluoro-2-hydroxy-2-propyl)-2,3,6-substituted-phenoxy and phenylthio]alkanoic acids and compounds related thereto having antihypertensive activity are preparable by reaction of the appropriate 2,3,6-substituted-4-(polyfluoro-2-hydroxy-2-propyl)phenol or thiophenol with an alkyl ester of a bromoalkanoic acid, followed by hydrolysis to the free acid.

  具有降压作用的Omega-[4-(多氟-2-羟基-2-丙基)-2,3,6-取代苯氧基和苯硫基]脂肪酸及相关化合物可通过将适当的2,3,6-取代-4-(多氟-2-羟基-2-丙基)苯酚或噻吩酚与溴代脂肪酸酯的烷基发生反应，然后水解成为自由酸来制备。