3-dimethylamino-1-(2-trifluoromethyl-phenyl)-propenone | 72851-51-5

• 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: 3-dimethylamino-1-(2-trifluoromethyl-phenyl)-propenone
• 英文别名: 3-(Dimethylamino)-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-one
• CAS: 72851-51-5
• 化学式: C₁₂H₁₂F₃NO
• 分子量: 243.229
• InChiKey: RCSHAIWHCDGOQH-UHFFFAOYSA-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-1-(2-trifluoromethyl-phenyl)-propenone 在 溶剂黄146 、 N,N-二异丙基乙胺 、 三氯氧磷 作用下， 反应 66.0h， 生成 4-Chloro-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-amine
  参考文献：
  名称：

  7-Phenyl-pyrido[2,3-d]pyrimidine-2,4-diamines: Novel and highly selective protein tyrosine phosphatase 1B inhibitors

  摘要：

  High throughput screening of the Roche compound collection led to the identification of diaminopyrroloquinazoline series as a novel class of PTP1B inhibitors. Structural modification of diaminopyrroloquinazoline series resulted in pyrido[2,3-d]pyrimidine-2,4-diamine series which was further optimized to give compounds 5 and 24 as potent, selective (except T-cell phosphatase) PTP1B inhibitors with good mouse PK properties. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.10.035
• 作为产物：
  描述：

  邻三氟甲基苯乙酮 、 N,N-二甲基甲酰胺二甲基缩醛 反应 8.0h， 生成 3-dimethylamino-1-(2-trifluoromethyl-phenyl)-propenone
  参考文献：
  名称：

  (Substituted-phenyl)-1,2,4-triazolo[4,3-a]-pyrimidines and

  摘要：

  本披露描述了具有抗焦虑活性的取代的1,2,4-三唑并[1,5-a]嘧啶和取代的1,2,4-三唑并[4,3-a]嘧啶。

  公开号：

  US04209621A1

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。
• [EN] 7-SUBSTITUTED 3-NITRO-PYRAZOLO `1,5-A! PYRIMIDINES<br/>[FR] 3-NITRO-PYRAZOLO[1,5-A]PYRIMIDINES SUBSTITUÉES EN POSITION 7
  申请人：FERRER INT

  公开号：WO2005014596A1

  公开（公告）日：2005-02-17

  The present invention relates to compounds of Formula (I): wherein R1 is as defined in the claims. The compounds have specific affinity for the GABAA receptor and are therefore useful in the treatment and prevention of diseases modulated by the α1- and α2- GABAA receptors.

  本发明涉及式(I)的化合物：其中R1在权利要求中定义。这些化合物具有特定的亲和力，对GABAA受体具有作用，因此在治疗和预防由α1-和α2- GABAA受体调节的疾病方面是有用的。
• 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.

  本公开说明了具有抗焦虑活性的取代的吡唑并[1,5-a]嘧啶和咪唑并[1,5-a]嘧啶。
• 5-substituted-2,4-diphenylpyrimidine derivatives, their production and
  申请人：Sumitomo Chemical Company, Limited

  公开号：US05403948A1

  公开（公告）日：1995-04-04

  A compound of the formula (I): ##STR1## wherein R.sup.1 represents a hydrogen atom, or a halogen atom, a (C.sub.1 to C.sub.3)-alkyl group, a halo-(C.sub.1 to C.sub.3)-alkyl group, a (C.sub.1 to C.sub.6)-alkoxy group, a (C.sub.2 to C.sub.6)-alkynyloxy group, a (C.sub.2 to C.sub.6)-alkenyloxy group, a halo-(C.sub.2 to C.sub.6)-alkynyloxy group, a halo-(C.sub.2 to C.sub.6)-alkenyloxy group, a (C.sub.1 to C.sub.2)-alkylthio group, a halo-(C.sub.1 to C.sub.6)-alkoxy group, a halo-(C.sub.1 to C.sub.2)-alkylthio group, a phenoxy group, a (C.sub.1 to C.sub.3)-alkylcarboxy group, a halo-(C.sub.1 to C.sub.3)-alkylcarboxy group, a (C.sub.1 to C.sub.2)-alkoxy-(C.sub.1 to C.sub.2)-alkoxy group, a halo-(C.sub.1 to C.sub.2)-alkoxy-halo-(C.sub.2 to C.sub.3)-alkoxy group, a (C.sub.1 to C.sub.3)-alkylsulfonyloxy group, a halo-(C.sub.1 to C.sub.3)-alkylsulfonyloxy group, a cyano group, a (C.sub.1 to C.sub.3)-alkoxycarbonyl group or an aminomethyl group, at the ortho or meta position; R.sup.2 and R.sup. 3, which may be either the same or different, each represents a hydrogen atom, a halogen atom, a (C.sub.1 to C.sub.2)-alkyl group, a halo-(C.sub.1 to C.sub.2)-alkyl group, a (C.sub.1 to C.sub.2)-alkoxy group, a nitro group, a (C.sub.1 to C.sub.2)-alkylthio group, a halo-(C.sub.1 to C.sub.2)-alkylthio group or a halo-(C.sub.1 to C.sub.2)-alkoxy group; and R.sup.4 represents a (C.sub.1 to C.sub.2)-alkyl group, provided that both R.sup.1 and R.sup.2 are not a hydrogen atom at the same time and that both of R.sup.2 and R.sup.3, if each representing a substituent other than a hydrogen atom, are not at the ortho position for the pyrimidine ring at the same time. The compound is used as herbicides.

  化合物的式子为(I): ##STR1## 其中，R.sup.1代表氢原子，或卤素原子，(C.sub.1至C.sub.3)-烷基，卤代-(C.sub.1至C.sub.3)-烷基，(C.sub.1至C.sub.6)-烷氧基，(C.sub.2至C.sub.6)-炔氧基，(C.sub.2至C.sub.6)-烯氧基，卤代-(C.sub.2至C.sub.6)-炔氧基，卤代-(C.sub.2至C.sub.6)-烯氧基，(C.sub.1至C.sub.2)-烷基硫基，卤代-(C.sub.1至C.sub.6)-烷氧基，卤代-(C.sub.1至C.sub.2)-烷基硫基，苯氧基，(C.sub.1至C.sub.3)-烷基羧基，卤代-(C.sub.1至C.sub.3)-烷基羧基，(C.sub.1至C.sub.2)-烷氧基-(C.sub.1至C.sub.2)-烷氧基，卤代-(C.sub.1至C.sub.2)-烷氧基-卤代-(C.sub.2至C.sub.3)-烷氧基，(C.sub.1至C.sub.3)-烷基磺酰氧基，卤代-(C.sub.1至C.sub.3)-烷基磺酰氧基，氰基，(C.sub.1至C.sub.3)-烷氧羰基或氨甲基，在邻位或间位；R.sup.2和R.sup.3，可以相同也可以不同，分别代表氢原子，卤素原子，(C.sub.1至C.sub.2)-烷基，卤代-(C.sub.1至C.sub.2)-烷基，(C.sub.1至C.sub.2)-烷氧基，硝基，(C.sub.1至C.sub.2)-烷基硫基，卤代-(C.sub.1至C.sub.2)-烷基硫基或卤代-(C.sub.1至C.sub.2)-烷氧基；R.sup.4代表(C.sub.1至C.sub.2)-烷基，前提是当R.sup.1和R.sup.2同时不是氢原子时，且当R.sup.2和R.sup.3都代表除氢原子以外的取代基时，它们不同时位于嘧啶环的邻位。该化合物用作除草剂。
• 5-substituted-2,4-diphenylpyrimidine derivatives and their use
  申请人：Sumitomo Chemical Co., Ltd.

  公开号：US05190575A1

  公开（公告）日：1993-03-02

  A compound of the formula (I): ##STR1## wherein R.sup.1 represents a hydrogen atom, or a halogen atom, a (C.sub.1 to C.sub.3)-alkyl group, a halo-(C.sub.1 to C.sub.3)-alkyl group, a (C.sub.1 to C.sub.6)-alkoxy group, a (C.sub.2 to C.sub.6)-alkynyloxy group, a (C.sub.2 to C.sub.6)-alkenyloxy group, a halo-(C.sub.2 to C.sub.6)-alkynyloxy group, a halo-(C.sub.2 to C.sub.6)-alkenyloxy group, a (C.sub.1 to C.sub.2)-alkylthio group, a halo-(C.sub.1 to C.sub.6)-alkoxy group, a halo-(C.sub.1 to C.sub.2)-alkylthio group, a phenoxy group, a (C.sub.1 to C.sub.3)-alkylcarboxy group, a halo-(C.sub.1 to C.sub.3)-alkylcarboxy group, a (C.sub.1 to C.sub.2)-alkoxy-(C.sub.1 to C.sub.2)-alkoxy group, a halo-(C.sub.1 to C.sub.2)-alkoxy-halo-(C.sub.2 to C.sub.3)-alkoxy group, a (C.sub.1 to C.sub.3)-alkylsulfonyloxy group, a halo-(C.sub.1 to C.sub.3)-alkylsulfonyloxy group, a cyano group, a (C.sub.1 to C.sub.3)-alkoxycarbonyl group or an aminomethyl group, at the ortho or meta position; R.sup.2 and R.sup. 3, which may be either the same or different, each represents a hydrogen atom, a halogen atom, a (C.sub.1 to C.sub.2)-alkyl group, a halo-(C.sub.1 to C.sub.2)-alkyl group, a (C.sub.1 to C.sub.2)-alkoxy group, a nitro group, a (C.sub.1 to C.sub.2)-alkylthio group, a halo-(C.sub.1 to C.sub.2)-alkylthio group or a halo-(C.sub.1 to C.sub.2)-alkoxy group; and R.sup.4 represents a (C.sub.1 to C.sub.2)-alkyl group, provided that both R.sup.1 and R.sup.2 are not a hydrogen atom at the same time and that both of R.sup.2 and R.sup.3, if each representing a substituent other than a hydrogen atom, are not at the ortho position for the pyrimidine ring at the same time. The compound is used as herbicides.

  化合物的化学式为(I): ##STR1## 其中R.sup.1代表氢原子，或卤素原子，(C.sub.1至C.sub.3)-烷基，卤代(C.sub.1至C.sub.3)-烷基，(C.sub.1至C.sub.6)-烷氧基，(C.sub.2至C.sub.6)-炔氧基，(C.sub.2至C.sub.6)-烯氧基，卤代(C.sub.2至C.sub.6)-炔氧基，卤代(C.sub.2至C.sub.6)-烯氧基，(C.sub.1至C.sub.2)-烷硫基，卤代(C.sub.1至C.sub.6)-烷氧基，卤代(C.sub.1至C.sub.2)-烷硫基，苯氧基，(C.sub.1至C.sub.3)-烷基羧基，卤代(C.sub.1至C.sub.3)-烷基羧基，(C.sub.1至C.sub.2)-烷氧基-(C.sub.1至C.sub.2)-烷氧基，卤代(C.sub.1至C.sub.2)-烷氧基-卤代(C.sub.2至C.sub.3)-烷氧基，(C.sub.1至C.sub.3)-烷基磺酰氧基，卤代(C.sub.1至C.sub.3)-烷基磺酰氧基，氰基，(C.sub.1至C.sub.3)-烷氧羰基或氨甲基，位于邻位或间位；R.sup.2和R.sup.3，可以相同也可以不同，分别代表氢原子，卤素原子，(C.sub.1至C.sub.2)-烷基，卤代(C.sub.1至C.sub.2)-烷基，(C.sub.1至C.sub.2)-烷氧基，硝基，(C.sub.1至C.sub.2)-烷硫基，卤代(C.sub.1至C.sub.2)-烷硫基或卤代(C.sub.1至C.sub.2)-烷氧基；R.sup.4代表(C.sub.1至C.sub.2)-烷基，前提是R.sup.1和R.sup.2不同时为氢原子，并且如果R.sup.2和R.sup.3都代表非氢原子的取代基，则它们不同时位于嘧啶环的邻位。该化合物用作除草剂。