3-Dimethylamino-2'-(trifluoromethyl)acrylophenone | 927829-30-9

• 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: 3-Dimethylamino-2'-(trifluoromethyl)acrylophenone
• 英文别名: (2E)-3-(dimethylamino)-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-one；(E)-3-(dimethylamino)-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-one
• CAS: 927829-30-9
• 化学式: C₁₂H₁₂F₃NO
• 分子量: 243.229
• InChiKey: RCSHAIWHCDGOQH-BQYQJAHWSA-N

物化性质

• 沸点：
  286.2±40.0 °C(Predicted)
• 密度：
  1.187±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-Dimethylamino-2'-(trifluoromethyl)acrylophenone 在 potassium tert-butylate 、 吡啶盐酸盐 作用下， 以 四氢呋喃 、 melt 、 乙醚 、 正戊烷 为溶剂， 反应 75.0h， 生成
  参考文献：
  名称：

  Olefin Polymerization Behavior of Titanium(IV) Pyridine-2-phenolate-6-(σ-aryl) Catalysts: Impact of “py-Adjacent” and Phenolate Substituents

  摘要：

  A series of Ti(IV) post-metallocene bis(benzyl) precatalysts supported by tridentate pyridine-2-phenolate-6-(sigma-aryl) [O,N,C] ligands, featuring various substituents on the sigma-aryl (directly adjacent to the pyridine ring: fluoro, trifluoromethyl, benzo [C4H4]) and phenolate groups (tert-butyl, trifluoromethyl, cumyl, 1,1-diphenylethyl), have been prepared. Multinuclear (including H-1, C-13, and F-19) NMR characterizations of the complexes have been performed. The principal purpose of this study was to investigate the impact of these substituents upon ethylene polymerization reactivity and polymer properties. The cumyl-phenolate sigma-naphthyl Ti precatalyst, in conjunction with [Ph3C][B(C6F5)(4)], displays good activity and produces polyethylene with exceptionally high (M-n = 4 x 10(6)) and an M-w/M-n value (2.5) approaching single-site character at 50 degrees C, but multisite behavior is apparent for other catalysts. DFT calculations have been performed to probe the polymerization behavior and the role of the py-adjacent substituent. These studies revealed the possibility of two distinct polymerization reactions, namely conventional and ethylene-assimilated (comprising initial ethylene insertion into the Ti-C(sigma-aryl) bond) chain propagation, and found that the latter is kinetically preferred. Furthermore, the viability of another kinetically competitive pathway, namely the isomerization of the ethylene-assimilated [Ti-CH2CH2-aryl] species via beta-H elimination and 2,1-reinsertion, was also indicated.

  DOI：

  10.1021/om300832q
• 作为产物：
  描述：

  邻三氟甲基苯乙酮 以 N,N-二甲基甲酰胺二甲基缩醛 为溶剂， 生成 3-Dimethylamino-2'-(trifluoromethyl)acrylophenone
  参考文献：
  名称：

  Pyrazolo[1,5-a]pyrimidines and imidazo-[1,5-a]pyrimidines

  摘要：

  这份披露描述了具有抗焦虑活性的取代嘧啶并[1,5-a]吡唑嘧啶和咪唑[1,5-a]吡咯啉。

  公开号：

  US04178449A1

文献信息

• 6-N-Linked Heterocycle-Substituted 2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists
  申请人：Briner Karin

  公开号：US20080214520A1

  公开（公告）日：2008-09-04

  The present invention provides 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines of Formula I as selective 5-HT 2C receptor agonists for the treatment of 5-HT 2C associated disorders including obesity, obsessive/compulsive disorder, depression, and anxiety: Formula (I) where: R 6 is selected from the group consisting of (a, b, c, d, e) and other substituents are as defined in the specification.

  本发明提供了Formula I的6-取代的2,3,4,5-四氢-1H-苯并[d]氮杂环庚烯作为选择性5-HT2C受体激动剂，用于治疗与5-HT2C相关的疾病，包括肥胖症、强迫症、抑郁症和焦虑症：Formula (I)其中：R6选自(a、b、c、d、e)等基团组成的群，其他取代基如规范中定义。
• Pyrazolo[1,5-a]pyrimidines and imidazo-[1,5-a]pyrimidines
  申请人：American Cyanamid Company

  公开号：US04178449A1

  公开（公告）日：1979-12-11

  This disclosure describes substituted pyrazolo[1,5-a]pyrimidines and imidazo[1,5-a]pyrimidines which possess anxiolytic activity.

  这份披露描述了具有抗焦虑活性的取代嘧啶并[1,5-a]吡唑嘧啶和咪唑[1,5-a]吡咯啉。
• 5-Substituted-2,4-diphenylpyrimidine derivatives, their production and herbicidal use
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0425247A2

  公开（公告）日：1991-05-02

  Herbicidal compounds are of the formula: wherein R1 is a hydrogen or halogen atom, a (halo-) C1-3-alkyl, (halo)-C1-6alkoxy, (halo-)alkynyloxy, halo-C2-6alkenyloxy, (halo-)C1-2 alkylthio, phenoxy, (halo-)C1-3 alkylcarboxy, C1-2 alkoxy-Ci-2-hydroxy, halo-(C2-3)-alkoxy-(halo-) C2-3-alkoxy, (halo-) C1-3-alkylsulfonyloxy, C1-3alkoxycarbonyl, cyano or aminomethyl group, at the ortho - or meta - position; R2 and R3 is halogen, nitro, (halo-)C1-2-alkyl group; and C1-2-alkylthio or (halo-)C1-2-alkoxy group;and R4 represents C1-2alkyl, provided that both of R2 and R3 are not at ortho position for the pyrimidine ring. Several preparation methods are described; and numerous specific compounds. A novel starting material is of the formula: where R2 and R3 are as above and can also be hydrogen and are not both ortho -; and W2 is one of numerous substituent groups. Compounds (I) are made into usual herbicidal preparations, especially an emulsifiable concentrate, wettable powder, a suspension or granules, and are effective against various weeds in crop plants.

  除草化合物的化学式如下 其中 R1 是氢原子或卤原子、(卤代)C1-3-烷基、(卤代)-C1-6-烷氧基、(卤代)炔氧基、卤代-C2-6-烯氧基、(卤代)C1-2-烷硫基、苯氧基、(卤代)C1-3-烷基羧基C1-2-烷氧基-Ci-2-羟基、卤代-（C2-3）-烷氧基-（卤代-）C2-3-烷氧基、（卤代-）C1-3-烷基磺酰氧基、C1-3-烷氧基羰基、氰基或氨基甲基，位于正-或偏-位置；R2 和 R3 是卤素、硝基、（卤代）C1-2-烷基、C1-2-烷硫基或（卤代）C1-2-烷氧基；以及 R4 代表 C1-2-烷基，条件是 R2 和 R3 都不位于嘧啶环的正交位置。 本文介绍了几种制备方法和许多具体的化合物。 一种新型起始原料的结构式如下 其中 R2 和 R3 如上所述，也可以是氢，且不都是正交-；W2 是众多取代基团之一。 化合物(I)可制成通常的除草制剂，特别是乳油、可湿性粉剂、悬浮剂或颗粒剂，对作物中的各种杂草有效。
• 6-N-LINKED HETEROCYCLE-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS
  申请人：ELI LILLY AND COMPANY

  公开号：EP1924578B1

  公开（公告）日：2013-11-06
• US4209621A
  申请人：——

  公开号：US4209621A

  公开（公告）日：1980-06-24