3-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-pyrazole | 1204141-84-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-pyrazole
• 英文别名: 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole
• CAS: 1204141-84-3
• 化学式: C₁₆H₁₃ClN₂O
• 分子量: 284.745
• InChiKey: RGQXLJGAMROVPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  37.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-(4-氯苯基)-3-(4-甲氧基苯基)-2-丙烯-1-酮 在 氯酞菁铁 (III) 、 potassium carbonate 、 一水合肼 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以89%的产率得到3-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-pyrazole
  参考文献：
  名称：

  氯化铁 (III) 酞菁催化 α,β-不饱和酮与水合肼的氧化-芳构化：3,5-二取代 1H-吡唑的合成

  摘要：

  我们开发了一种氯化铁 (III) 酞菁催化的 α,β-不饱和酮与水合肼的氧化芳构化反应。以良好到极好的收率获得了各种 3,5-二取代的 1H-吡唑。该方法具有多种优点，包括室温条件、反应时间短、收率高、后处理程序简单以及使用空气作为氧化剂。催化剂可回收重复使用5次而不会损失活性。

  DOI：

  10.1016/s1872-2067(15)61043-9

文献信息

• The diaza-Nazarov cyclization involving a 2,3-diaza-pentadienyl cation for the synthesis of polysubstituted pyrazoles
  作者：Balakrishna Aegurla、Rama Krishna Peddinti

  DOI：10.1039/c7ob01949a

  日期：——

  diaza-Nazarov (DAN) type cyclization for the construction of substituted pyrazoles from easily available starting materials via an enamine–iminium ion intermediate is described. The oxidative cyclization worked under green conditions with remarkable regioselectivity. This one-pot, efficient and operationally simple three-component intramolecular regioselective DAN cyclization displayed a wide range of

  描述了前所未有的碘介导的diaza-Nazarov（DAN）型环化反应，该反应可通过易用的起始原料通过烯胺-亚胺离子中间体构建取代的吡唑。氧化环化反应在绿色条件下具有显着的区域选择性。这种一锅，高效且操作简单的三组分分子内区域选择性DAN环化反应显示了广泛的底物范围。已经用密度泛函理论在气相和溶液相中探索了反应途径的二分法。在可能的1,5-，1,6-和1,7-电环化中，DAN环化（即1,5-途径）提供了最低的活化能垒，支持了我们的实验观察。
• A highly efficient heterogeneous palladium-catalyzed cascade three-component reaction of acid chlorides, terminal alkynes and hydrazines leading to pyrazoles
  作者：Qiurong Chen、Fang Yao、Lin Yin、Mingzhong Cai

  DOI：10.1016/j.jorganchem.2015.12.037

  日期：2016.2

  MCM-41-immobilized palladium(II) complex [MCM-41-2N–Pd(OAc)2] and 1.0 mol% of CuI, acid chlorides were coupled with terminal alkynes in Et3N at 50 °C to give α,β-unsaturated ynones, which were converted in situ into pyrazoles by the cycloaddition of hydrazines at room temperature with acetonitrile as cosolvent. The cascade reactions generated a variety of pyrazole derivatives in moderate to good yields, and

  在0.5摩尔％的3-（2-氨基乙基氨基）丙基官能化的MCM-41固定的钯（II）配合物[MCM-41-2N-Pd（OAc）2 ]和1.0摩尔％的CuI的存在下，酰氯将其与末端炔烃在50°C的Et 3 N中偶合，得到α，β-不饱和炔酮，通过在室温下以乙腈为助溶剂将肼环加成，将其原位转化为吡唑。级联反应以中等至良好的产率生成了多种吡唑衍生物，并且这种非均相钯催化剂显示出比PdCl 2（PPh 3）2更高的催化活性，并且可以被回收并重复使用至少10次连续试验而活性没有降低。
• NEW DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES
  申请人：Giese Armin

  公开号：US20110293520A1

  公开（公告）日：2011-12-01

  The present invention relates to a compound represented by formula (E). The present invention also relates to a compound represented by the formula (E) for use in the treatment or prevention of diseases linked to protein aggregation and/or neurodegenerative diseases. Moreover, the present invention relates to pharmaceutical and diagnostic compositions comprising the compound of the invention as well as to a kit. Furthermore, the present invention relates to a method of imaging deposits of aggregated protein. A kit for preparing a detectably labelled compound of the present invention is also disclosed. Formula (E) wherein X, Y and L are independently nondirectionally selected from —C(R 1 )(R 2 )—, —C(R 3 )═, —N(R 4 )—, —N═, —N + (R 5 )═, —O— and —S—; M and Z are independently nondirectionally selected from formula (I) and formula (II).

  本发明涉及一种由公式（E）表示的化合物。本发明还涉及一种由公式（E）表示的化合物，用于治疗或预防与蛋白质聚集和/或神经退行性疾病相关的疾病。此外，本发明涉及包含本发明化合物的制药和诊断组合物，以及一种试剂盒。此外，本发明还涉及一种成像聚集蛋白沉积物的方法。还公开了一种用于制备可检测标记的本发明化合物的试剂盒。公式（E）中，X、Y和L分别独立地从—C（R1）（R2）—、—C（R3）═、—N（R4）—、—N═、—N+（R5）═、—O—和—S—中非定向选择；M和Z分别独立地从公式（I）和公式（II）中非定向选择。
• Drugs for inhibiting aggregation of proteins invoved in diseases linked to protein aggregation and/or neurodegenerative diseases
  申请人：Ludwig-Maximilians-Universität München

  公开号：EP2687513A1

  公开（公告）日：2014-01-22

  The present invention relates to a compound represented by formula (E). The present invention also relates to a compound represented by the formula (E) for use in the treatment or prevention of diseases linked to protein aggregation and/or neurodegenerative diseases. Moreover, the present invention relates to pharmaceutical and diagnostic compositions comprising the compound of the invention as well as to a kit. Furthermore, the present invention relates to a method of imaging deposits of aggregated protein. A kit for preparing a detectably labelled compound of the present invention is also disclosed.

  本发明涉及一种由式（E）代表的化合物。本发明还涉及一种由式（E）代表的化合物，用于治疗或预防与蛋白质聚集相关的疾病和/或神经退行性疾病。此外，本发明还涉及包含本发明化合物的药物和诊断组合物以及试剂盒。此外，本发明还涉及一种对聚集蛋白沉积物成像的方法。本发明还公开了一种用于制备可检测标记的本发明化合物的试剂盒。
• Drug for inhibiting aggregation of proteins involved in diseases linked to protein aggregation and/or neurodegenerative diseases
  申请人：LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN

  公开号：US10435373B2

  公开（公告）日：2019-10-08

  The present invention relates to a compound represented by formula (E). The present invention also relates to a compound represented by the formula (E) for use in the treatment or prevention of diseases linked to protein aggregation and/or neurodegenerative diseases. Moreover, the present invention relates to pharmaceutical and diagnostic compositions comprising the compound of the invention as well as to a kit. Furthermore, the present invention relates to a method of imaging deposits of aggregated protein. A kit for preparing a detectably labelled compound of the present invention is also disclosed.

  本发明涉及一种由式（E）代表的化合物。本发明还涉及一种由式（E）代表的化合物，用于治疗或预防与蛋白质聚集相关的疾病和/或神经退行性疾病。此外，本发明还涉及包含本发明化合物的药物和诊断组合物以及试剂盒。此外，本发明还涉及一种对聚集蛋白沉积物成像的方法。本发明还公开了一种用于制备可检测标记的本发明化合物的试剂盒。