2-(2-bromo-5-fluorophenyl)ethyl acetate | 1214910-61-8

• 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: 2-(2-bromo-5-fluorophenyl)ethyl acetate
• 英文别名: ethyl 2-(2-bromo-5-fluorophenyl)acetate
• CAS: 1214910-61-8
• 化学式: C₁₀H₁₀BrFO₂
• 分子量: 261.091
• InChiKey: VJIZBDVPORTFJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  14
• 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：
  26.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(2-bromo-5-fluorophenyl)ethyl acetate 在 tris-(dibenzylideneacetone)dipalladium(0) 、 potassium tert-butylate 、 四丁基氟化铵 、 sodium hydroxide 、 2-二环己膦基-2'-(N,N-二甲胺)-联苯 作用下， 以 二甲基亚砜 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 19.0h， 生成 N-(4-(6'-fluoro-1'H-spiro[cyclopropano-1,4'-isoquinolin]-2'(3'H)-yl)-2,6-dimethylbenzene methyl)-3,3-dimethylbutanamide
  参考文献：
  名称：

  WO2023/125935

  摘要：

  公开号：
• 作为产物：
  描述：

  乙醇 、 2-溴-5-氟苯乙酸 在 硫酸 作用下， 以92 %的产率得到2-(2-bromo-5-fluorophenyl)ethyl acetate
  参考文献：
  名称：

  WO2024160366A1

  摘要：

  公开号：

文献信息

• COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS
  申请人：Fuchs Klaus

  公开号：US20120115863A1

  公开（公告）日：2012-05-10

  The invention relates to novel cycloalkyl- or cycloalkenyl-substituted pyrazolopyrimidinones of formula (I), wherein Ā is selected from the group A 1 consisting of a C 3 -C 8 -cycloalkyl group or a C 4 -C 8 -cycloalkenyl group, whereby the members of C 3 -C 8 -cycloalkyl group being selected from the group of cyclopropyl, cyclobutyl, cyclopentyl, cyclohexyl, cycloheptanyl and cyclooctanyl; and the members of the C 4 -C 8 -cycloalkenyl group, being selected from cyclobutenyl, cyclopentenyl, cyclohexenyl, cycloheptenyl, cyclooctenyl, cyclopentadienyl, cyclohexadienyl, cycloheptadienyl, cyclooctadienyl, cycloheptatrienyl, cyclooctathenyl, cyclooctatetraenyl. The new compounds shall be used for the manufacture of medicaments, in particular medicaments for improving perception, concentration, learning and/or memory in patients in need thereof. Chemically, the compounds are characterised as pyrazolopyrimidinones with a cycloalkyl-moiety directly bound to the 1 position of the pyrazolopyrimidinone and a second substituent in the 6 position which is bound via an optionally substituted methylene-bridge. Further aspects of the present invention refer to a process for the manufacture of the compounds and their use for producing medicaments.

  该发明涉及具有以下结构的新型环烷基或环烯基取代的吡唑吡咪啉酮化合物（I），其中Ā选自A1组中的C3-C8环烷基或C4-C8环烯基，其中C3-C8环烷基组成员选自环丙基、环丁基、环戊基、环己基、环庚基和环辛基；而C4-C8环烯基组成员选自环丁烯基、环戊烯基、环己烯基、环庚烯基、环辛烯基、环戊二烯基、环己二烯基、环庚二烯基、环辛二烯基、环庚三烯基、环辛烷基、环辛四烯基。这些新化合物可用于制造药物，特别是用于改善患者感知、注意力、学习和/或记忆的药物。从化学上讲，这些化合物被描述为在吡唑吡咪啉酮的1位上直接连接有环烷基基团，并且在6位上通过一个可选取代的亚甲基桥连接有第二取代基。该发明的进一步方面涉及一种制造这些化合物的方法以及它们用于生产药物的用途。
• Identification of 2-(2′-fluoro-[1,1′-biphenyl]-2-yl)acetamide as a Sodium Valproate-like broad spectrum anti-epileptic drug candidate
  作者：Tomoyuki Tanaka、Nana Yajima、Tomoko Kiyoshi、Yoshiki Miura、Yoshifumi Inoue、Takuya Nishimaki、Seiji Iwama

  DOI：10.1016/j.bmcl.2018.12.014

  日期：2019.1

  By further optimizing compound A [2'-fluoro-N-methyl-[1,1'-biphenyl]-2-sulfonamide], we identified DSP-0565 [2-(2'-fluoro-[1,1'-biphenyl]-2-yl)acetamide, 17a] as a strong, broad-spectrum anti-epileptic drug (AED) candidate. Our efforts mainly focused on finding an alternative polar group for the sulfonamide in order to improve ADME profile of compound A including good metabolic stability and no reactive

  通过进一步优化化合物A [2'-氟-N-甲基-[1,1'-联苯] -2-磺酰胺]，我们确定了DSP-0565 [2-（2'-氟-[1,1'-联苯] ] -2-基）乙酰胺（17a]是一种强大的广谱抗癫痫药（AED）候选物。我们的努力主要集中在寻找磺酰胺的替代极性基团，以改善化合物A的ADME谱，包括良好的代谢稳定性和无反应性代谢产物。这导致联苯乙酰胺被鉴定为开发广谱AED候选物的新支架。DSP-0565在各种模型（scPTZ，MES，6 Hz和杏仁核点燃）中显示出抗惊厥活性，并具有良好的安全裕度，因此被选为临床候选药物。
• NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS
  申请人：GIOVANNINI Riccardo

  公开号：US20110082137A1

  公开（公告）日：2011-04-07

  The invention relates to novel 1,6-disubstituted pyrazolopyrimidinones of formula (I), in which Hc is a tetrahydropyranyl-group and R 1 is the group V—W−*, whereby V and W independently of each other may be an aryl group or an heteroaryl group, which independently of each other may optionally be substituted. According to one aspect of the invention the new compounds are for use as medicaments or for the manufacture of medicaments, in particular medicaments for the treatment of conditions concerning deficits in perception, concentration, learning or memory. The new compounds are also for the manufacture of medicaments and/or for use in the treatment of e.g. Alzheimer's disease, in particular for cognitive impairment associated with Alzheimer's disease.

  本发明涉及一种新型的1,6-二取代吡唑嘧啶酮化合物，其化学式为（I），其中Hc为四氢吡喃基团，R1为V-W−*基团，其中V和W各自独立地可以是芳基基团或杂环基团，可以选择地进行取代。根据本发明的一个方面，这些新化合物可用作药物或制药用途，特别是用于治疗与感知、注意力、学习或记忆缺陷有关的疾病。这些新化合物还可用于制药或用于治疗例如阿尔茨海默病等疾病，特别是用于与阿尔茨海默病相关的认知障碍的治疗。
• PYRAZOLOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP2334684B1

  公开（公告）日：2017-08-02
• 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP2414363B1

  公开（公告）日：2014-01-08