3-(2-methoxy-phenyl)-5-methyl-[1,2,4]oxadiazole | 126578-35-6

• 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-(2-methoxy-phenyl)-5-methyl-[1,2,4]oxadiazole
• 英文别名: 3-(2-Methoxy-phenyl)-5-methyl-[1,2,4]oxadiazol；3-(2-Methoxyphenyl)-5-methyl-1,2,4-oxadiazole
• CAS: 126578-35-6
• 化学式: C₁₀H₁₀N₂O₂
• 分子量: 190.202
• InChiKey: WRJHTBMBRDECTR-UHFFFAOYSA-N

物化性质

• 沸点：
  332.3±44.0 °C(Predicted)
• 密度：
  1.158±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  48.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 生成 3-(2-methoxy-phenyl)-5-methyl-[1,2,4]oxadiazole
  参考文献：
  名称：

  1：2：4-恶二唑的合成

  摘要：

  DOI：

  10.1039/jr9540004251

文献信息

• Construction of 3,5-substituted 1,2,4-oxadiazole rings triggered by tetrabutylammonium hydroxide: a highly efficient and fluoride-free ring closure reaction of O-acylamidoximes
  作者：Hiromichi Otaka、Junya Ikeda、Daisuke Tanaka、Masanori Tobe

  DOI：10.1016/j.tetlet.2013.12.016

  日期：2014.1

  Tetrabutylammonium hydroxide (TBAH) is an efficient and mild alternative to tetrabutylammonium fluoride (TBAF) for base catalyzed cyclizations of 1,2,4-oxadiazoles from O-acylamidoximes. For most 3,5-substituted 1,2,4-oxadiazoles the reactions were dramatically accelerated by addition of 0.1 equiv of TBAH at room temperature. This method was also more generally applicable allowing for a wider range

  氢氧化四丁基铵（TBAH）是氟化四丁基铵（TBAF）的一种高效，温和的替代品，用于由O-酰基酰胺基肟对1,2,4-恶二唑进行碱催化的环化反应。对于大多数3,5-取代的1,2,4-恶二唑，在室温下通过添加0.1当量的TBAH可以显着加速反应。该方法也更普遍地适用于允许更大范围的基板。另外，由于不存在氟化物，TBAH不会导致反应堆容器的腐蚀，因此更适合大规模合成。
• [EN] AZETIDINE AMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS D'AMIDE D'AZÉTIDINE EN TANT QU'ANTAGONISTES DES RÉCEPTEURS D'ORÉXINE
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2014141065A1

  公开（公告）日：2014-09-18

  The present invention relates to azetidine amide derivatives derivatives of formula (I) wherein rings A1 A2 and A3 are as described in the description, to pharmaceutically acceptable salts thereof, to their preparation, to pharmaceutical compositions containing one or more compounds of formula (I), and to their use as pharmaceuticals, especially to their use as orexin receptor antagonists.

  本发明涉及式(I)的吡嗪酰胺衍生物衍生物，其中环A1、A2和A3如描述中所述，其药学上可接受的盐，其制备方法，含有一种或多种式(I)化合物的药物组合物，以及它们作为药物的用途，特别是它们作为促进睡眠的药物。
• [EN] OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO )ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES<br/>[FR] ANTAGONISTES DES RÉCEPTEURS DE L'OREXINE, QUI SONT DES DÉRIVÉS [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO )ARYL)-PYRROLIDIN-1-YL]-METHANONE
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2014057435A1

  公开（公告）日：2014-04-17

  The present invention relates to [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]- methanone derivatives of formula (I) wherein R, and the rings A1 A2 and A3 are as described in the description, to pharmaceutically acceptable salts thereof, to their preparation, to pharmaceutical compositions containing one or more compounds of formula (I), and to their use as pharmaceuticals, especially to their use as orexin receptor antagonists.

  本发明涉及公式(I)中的[ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-甲酮衍生物，其中R和环A1、A2和A3如描述中所述，以及其药用盐，其制备方法，含有一个或多个公式(I)化合物的药物组合物，以及它们作为药物的用途，特别是作为促进睡眠荷尔蒙受体拮抗剂的用途。
• [EN] NOVEL SUBSTITUTED PYRAZOLES, 1,2,4-OXADIAZOLES, AND 1,3,4-OXADIAZOLES<br/>[FR] NOUVEAUX PYRAZOLES SUBSTITUÉS, 1,2,4-OXADIAZOLES, ET 1,3,4-OXADIAZOLES
  申请人：MERCK & CO INC

  公开号：WO2009146343A1

  公开（公告）日：2009-12-03

  The present invention relates to novel amyloid binding compounds and methods for measuring effects of the compounds, by measuring changes of amyloid plaque level in living patients. More specifically, the present invention relates to a method of using the compounds of this invention as tracers in positron emission tomography (PET) imaging to study amyloid deposits in brain in vivo to allow diagnosis of Alzheimer's disease. Thus, the present invention relates to use of the novel amyloid binding compounds as a diagnostic. The invention further relates to a method of measuring clinical efficacy of Alzheimer's disease therapeutic agents. Specifically, the present invention relates to novel aryl or heteroaryl substituted pyrazole derivatives, compositions, and therapeutic uses and processes for making such compounds.

  本发明涉及新型淀粉样蛋白结合化合物和测量这些化合物效果的方法，通过测量活体患者淀粉样斑块水平的变化。更具体地说，本发明涉及一种利用本发明化合物作为示踪剂在正电子发射断层扫描（PET）成像中研究活体大脑中淀粉样沉积以进行阿尔茨海默病诊断的方法。因此，本发明涉及将新型淀粉样蛋白结合化合物用作诊断的用途。该发明还涉及一种测量阿尔茨海默病治疗药物临床疗效的方法。具体而言，本发明涉及新型芳基或杂环芳基取代的吡唑衍生物、组成物和制备此类化合物的治疗用途和方法。
• [EN] QUATERNARY INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DU RÉCEPTEUR DES GLUCOCORTICOÏDES D'INDAZOLE QUATERNAIRE
  申请人：CORCEPT THERAPEUTICS INC

  公开号：WO2021262587A1

  公开（公告）日：2021-12-30

  The present disclosure provides compounds of Formula I or II. Compounds of Formula I or II may be used in pharmaceutical formulations, and may be used for modulating glucocorticoid receptors.

  本公开提供了Formula I或II的化合物。Formula I或II的化合物可以用于制药配方，并可用于调节糖皮质激素受体。