1-甲基-3-(4-甲基苯基)吡唑 | 73387-55-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-甲基-3-(4-甲基苯基)吡唑
• 英文名称: 1-methyl-3-(4-methylphenyl)-1H-pyrazole
• 英文别名: 3-(4'-methylphenyl)-1-methylpyrazole；1-Methyl-3-(p-methylphenyl)pyrazol；1-methyl-3-p-tolyl-1H-pyrazole；1-methyl-3-(4-methylphenyl)pyrazole
• CAS: 73387-55-0
• 化学式: C₁₁H₁₂N₂
• 分子量: 172.23
• InChiKey: SNWMWUYUBYWFTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  甲苯 在 manganese(IV) oxide 、 aluminum (III) chloride 、 sodium carbonate 作用下， 以 丙醇 、 二氯甲烷 、 水 、 甲苯 为溶剂， 反应 52.0h， 生成 1-甲基-3-(4-甲基苯基)吡唑
  参考文献：
  名称：

  Transformation of arenes into 3-arylpyrazoles and 3-arylisoxazolines with β-bromopropionyl chloride, hydrazine, and hydroxylamine

  摘要：

  Successive treatment of arenes with beta-bromopropionyl chloride and AlCl3, followed by the reactions with hydrazines and Na2CO3, and then with MnO2 gave the corresponding 3-arylpyrazoles in one pot in good to moderate yields. The same successive treatment of arenes with beta-bromopropionyl chloride and AlCl3, followed by the reactions with hydroxylamine and KF gave the corresponding 3-arylisoxazolines in one pot in good to moderate yields. (C) 2020 Elsevier Science. All rights reserved.

  DOI：

  10.1016/j.tet.2019.130920

文献信息

• NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF
  申请人：FUJIFILM Corporation

  公开号：US20150322063A1

  公开（公告）日：2015-11-12

  A compound represented by Formula [1] (in the formula, Z 1 represents N, CH, or the like; X 1 represents NH or the like; R 1 represents a heteroaryl group or the like; each of R 2 , R 3 , and R 4 represents a hydrogen atom, a halogen atom, an alkoxy group, or the like; and R 5 represents a heteroaryl group or the like) or salt thereof.

  由式[1]表示的化合物（在该式中，Z表示N、CH或类似物；X表示NH或类似物；R表示杂环烷基或类似物；R2、R3和R4中的每一个表示氢原子、卤原子、烷氧基或类似物；R5表示杂环烷基或类似物）或其盐。
• POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1
  申请人：Vanderbilt University

  公开号：US20200131180A1

  公开（公告）日：2020-04-30

  Described are positive allosteric modulators of muscarinic acetylcholine receptor M 1 (mAChR M 1 ), pharmaceutical compositions including the compounds, and methods of using the compounds and compositions for treating neurological disorders, psychiatric disorders, or a combination thereof.

  描述了甲型乙酰胆碱受体M1（mAChR M1）的正向变构调节剂，包括这些化合物的药物组合物，以及使用这些化合物和组合物治疗神经系统疾病、精神疾病或二者的方法。
• [EN] ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS<br/>[FR] ANALOGUES POUR TRAITER OU PRÉVENIR LES INFECTIONS À FLAVIVIRUS
  申请人：VERTEX PHARMA

  公开号：WO2011119860A1

  公开（公告）日：2011-09-29

  Compounds represented by formula (I) described herein or pharmaceutically acceptable salts thereof, wherein A, B, B', X, Y, R1, R2, R2', R3, R3', R4, R4', R5, R5', m, n, or p are as defined herein, are useful for treating flaviviridae viral infections.

  本文所描述的化学式(I)或其药学上可接受的盐，其中A、B、B'、X、Y、R1、R2、R2'、R3、R3'、R4、R4'、R5、R5'、m、n或p的定义如本文所述，可用于治疗黄病毒科病毒感染。
• [EN] NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME<br/>[FR] NOUVEAUX INHIBITEURS DE LA PIKFYVE ET LEURS MÉTHODES D'UTILISATION
  申请人：TME THERAPEUTICS LLC

  公开号：WO2022086993A1

  公开（公告）日：2022-04-28

  The invention relates to novel inhibitors of the PIKFYVE, a phosphoinositide kinase, useful for the treatment of diseases or disorders characterized by dysregulation of phosphoinositide mediated signal transduction pathways, including hyperproliferative diseases, autoimmune diseases, Crohn's disease, psoriasis, neurological diseases, diabetes, corneal fleck dystrophy, and viral infection (including HIV, Ebola, and coronavirus infections). The invention further relates to pharmaceutical compositions comprising PIKFYVE inhibitors and methods of treatment of such diseases and disorders.

  该发明涉及一种新型PIKFYVE抑制剂，它是一种磷脂酰肌醇激酶，可用于治疗由于磷脂酰肌醇介导的信号转导通路失调所导致的疾病或障碍，包括增殖过度性疾病、自身免疫性疾病、克罗恩病、银屑病、神经系统疾病、糖尿病、角膜斑点萎缩症和病毒感染（包括HIV、埃博拉和冠状病毒感染）。该发明还涉及包含PIKFYVE抑制剂的制药组合物和治疗上述疾病和障碍的方法。
• BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS
  申请人：Henderson James A.

  公开号：US20110172238A1

  公开（公告）日：2011-07-14

  Compounds represented by formula I: or pharmaceutically acceptable salts and solvates thereof, wherein A, B, B′, X, Y, R 1 , R 1 ′, R 2 , R 2 ′, R 3 , R 3 ′, R 5 , R 5 ′, R 6 , m, n, or p are as defined herein, are useful for treating flaviviridae viral infections.

  公式I所代表的化合物，或其药学上可接受的盐和溶剂化物，其中A、B、B'、X、Y、R1、R1'、R2、R2'、R3、R3'、R5、R5'、R6、m、n或p的定义如本文所述，可用于治疗黄病毒科病毒感染。