1-[(2-氟苯基)甲基]咪唑 | 102993-74-8

• 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: 1-[(2-氟苯基)甲基]咪唑
• 英文名称: 1-(2-fluorobenzyl)-1H-imidazole
• 英文别名: 1-[(2-fluorophenyl)methyl]imidazole
• CAS: 102993-74-8
• 化学式: C₁₀H₉FN₂
• mdl: MFCD06421435
• 分子量: 176.193
• InChiKey: GZGYLPWGDLATLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-[(2-氟苯基)甲基]咪唑 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 62.0h， 生成
  参考文献：
  名称：

  定义明确的带有N-杂环卡宾和膦基团的钯（0）配合物：在Mizoroki-Heck反应和直接C-H功能化中的高效催化应用†

  摘要：

  制备了两个系列的具有膦官能化的N-杂环卡宾配体的明确定义的钯（0）配合物。这些配合物在两个系列中具有六元和七元螯合环。在七元螯合物中，具有PCy 2的螯合物在NMR时间尺度上，该部分显示出可观察到的通量行为，对应于两组构象之间的互换。通过单晶X射线衍射研究已成功地对大多数这些新颖的复合物进行了结构表征。测试了这两个系列的钯（0）配合物在两种机理上不同的反应中的潜在催化应用，即Mizoroki-Heck偶联反应和直接的C-H功能化反应。发现六元螯合物中的一种是介导芳基氯和烯烃之间的偶联反应的有效预催化剂。钯（0）配合物也可以有效地用于芳基溴化物与1,2-二甲基咪唑的直接CH功能化反应中。

  DOI：

  10.1039/c6dt01323f
• 作为产物：
  描述：

  1-乙酰基咪唑 、 2-氟溴苄 以 乙腈 为溶剂， 反应 4.0h， 以68%的产率得到1-[(2-氟苯基)甲基]咪唑
  参考文献：
  名称：

  Synthesis, acidity and 19F NMR characteristics of imidazoles bearing 1-fluorinated substituents with potential application as probes for intracellular pH determination

  摘要：

  A series of 1-substituted imidazoles containing fluorine have been prepared. These compounds were identified as potentially useful probes for intracellular pH determination based on F-19 NMR. Key parameters including pK(a), F-19 NMR chemical shift sensitivity, water solubility and low toxicity were identified and included in the target molecule selection process. The pK(a) and F-19 NMR parameters of the molecules are reported and vends analysed. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00487-0

文献信息

• METHODS AND COMPOSITIONS FOR TREATING SCHIZOPHRENIA
  申请人：The Johns Hopkins University

  公开号：EP2919788A1

  公开（公告）日：2015-09-23
• METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION
  申请人：Agenebio, Inc.

  公开号：EP2968220A1

  公开（公告）日：2016-01-20
• METHODS AND COMPOSITONS FOR IMPROVING COGNITIVE FUNCTION
  申请人：The Johns Hopkins University

  公开号：EP2968257A1

  公开（公告）日：2016-01-20
• [EN] METHODS AND COMPOSITIONS FOR TREATING SCHIZOPHRENIA<br/>[FR] MÉTHODES ET COMPOSITIONS POUR LE TRAITEMENT DE LA SCHIZOPHRÉNIE
  申请人：UNIV JOHNS HOPKINS

  公开号：WO2014078568A1

  公开（公告）日：2014-05-22

  The invention relates to methods and compositions for treating schizophrenia or bipolar disorder (in particular, mania) by using a combination of a synaptic vesicle protein 2A (SV2A) inhibitor and an antipsychotic or their pharmaceutically acceptable salts, hydrates, solvates, polymorphs, and prodrugs thereof. The methods and the compositions can be used for treating one or more positive and/or negative symptoms, as well as cognitive impairment, associated with schizophrenia or bipolar disorder (in particular, mania).
• [EN] METHODS AND COMPOSITONS FOR IMPROVING COGNITIVE FUNCTION<br/>[FR] PROCÉDÉS ET COMPOSITIONS POUR AMÉLIORER LA FONCTION COGNITIVE
  申请人：UNIV JOHNS HOPKINS

  公开号：WO2014144546A1

  公开（公告）日：2014-09-18

  This invention relates to methods and compositions for treating cognitive impairment associated with central nervous system (CNS) disorders. In particular, it relates to the use of inhibitors of synaptic vesicle glycoprotein 2A (SV2A) in combination with memantine or a derivative or an analog thereof, in treating cognitive impairment associated with central nervous system (CNS) disorders in a subject in need or at risk thereof, including, without limitation, subjects having or at risk for age-related cognitive impairment, Mild Cognitive Impairment (MCI), amnestic MCI (aMCI), Age- Associated Memory Impairment (AAMI), Age Related Cognitive Decline (ARCD), dementia, Alzheimer's Disease(AD), prodromal AD, post traumatic stress disorder (PTSD), schizophrenia or bipolar disorder, amyotrophic lateral sclerosis, cancer-therapy-related cognitive impairment, mental retardation, Parkinson's disease (PD), autism, compulsive behavior, and substance addiction.