(2ci)-1-乙基-3-甲基异吲唑 | 861803-79-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 中文名称: (2ci)-1-乙基-3-甲基异吲唑
• 英文名称: 1-ethyl-3-methyl-1H-indazole
• 英文别名: 1-Aethyl-3-methyl-1H-indazol；1-Ethyl-3-methyl-1H-indazole；1-ethyl-3-methylindazole
• CAS: 861803-79-4
• 化学式: C₁₀H₁₂N₂
• 分子量: 160.219
• InChiKey: CAOSSSYFBMMKRG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (2ci)-1-乙基-3-甲基异吲唑 、 碘甲烷 生成 1-ethyl-2,3-dimethyl-indazolium; iodide
  参考文献：
  名称：

  Fischer,E.; Kuzel, Justus Liebigs Annalen der Chemie, 1883, vol. 221, p. 274

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(2-(乙胺基)苯基)乙酮 在 硫酸 、 sodium nitrite 作用下， 生成 (2ci)-1-乙基-3-甲基异吲唑
  参考文献：
  名称：

  Fischer,E.; Tafel, Justus Liebigs Annalen der Chemie, 1885, vol. 227, p. 305,316

  摘要：

  DOI：

文献信息

• Direct N-Alkylation and Kemp Elimination Reactions of 1-Sulfonyl-1<i>H</i> -Indazoles
  作者：Meng Tang、Bingjie Chu、Xiaowei Chang

  DOI：10.1002/asia.201800741

  日期：2018.8.16

  The reactions of 1‐sulfonyl‐1H‐indazoles under basic conditions are discussed, and the direct N‐alkylation and Kemp elimination reactions of these compounds are reported. A series of 2‐(p‐tosylamino)benzonitriles and N‐alkyl indazoles were prepared in good yields. Moreover, the 2‐(p‐tosylamino)benzonitriles could be transformed into a diverse range of important derivatives in a one‐pot reaction. This

  讨论了在碱性条件下1-磺酰基-1 H-吲唑的反应，并报道了这些化合物的直接N-烷基化和Kemp消除反应。制备了一系列2-（对甲苯磺酰基氨基）苄腈和N-烷基吲唑，收率很高。此外，在一次反应中，2-（对甲苯磺酰基氨基）苯甲腈可转变为多种重要的衍生物。该方法已成功地应用于喹啉酮和隐烯酮的合成。喹啉酮是通过1-磺酰基-1 H-吲唑单锅反应制得的。
• [EN] METHODS OF MAKING INDAZOLES<br/>[FR] PROCEDES DE FABRICATION D'INDAZOLES
  申请人：ALCON INC

  公开号：WO2002098862A1

  公开（公告）日：2002-12-12

  Methods of making indazoles are described. The methods involved reacting an aromatic aldehyde with a nitrogen source to form a nitroso aromatic aldehyde. The nitroso aromatic aldehyde is reacted with a reducing agent to form an indazole which ultimately can be used to form desired indazoles which are preferably pharmaceutically active products. The process of the present invention further permits the formation of enantiomerically enriched or pure indazoles such as aminoalkyl indazoles.

  本文描述了制备吲唑的方法。该方法涉及将芳香醛与氮源反应，形成亚硝基芳香醛。然后将亚硝基芳香醛与还原剂反应，形成吲唑，最终可以用于形成所需的吲唑，这些吲唑最好是具有药理活性的产品。本发明的过程还允许形成对映富集或纯的吲唑，例如氨基烷基吲唑。
• [EN] METHODS OF MAKING 1-(2-AMINOPROPYL)-6-HYDROXYINDAZOLE<br/>[FR] PROCEDES DE FABRICATION DE 1-(2-AMINOPROPYL)-6-HYDROXYINDAZOLE
  申请人：ALCON INC

  公开号：WO2002098861A1

  公开（公告）日：2002-12-12

  Methods of making 1-(2-aminopropyl)-6-hydroxyindazole are described. The method involves, in part, reacting 4-benzyloxy-2-(2-hydroxypropyl)aminobenzaldehyde with an organic or inorganic nitrite to form 4-benzyloxy-2-(2-hydroxypropyl)nitosaminobenzaldehyde, wich in turn is reacted with a reducing agent with concomitant cyclization to form 6-benzyloxy-1-(2-hydroxypropyl)indazole. The 6-benzyloxy-1-(2-hydroxypropyl)indazole can then be transformed into 1-(2-azidopropyl)-6-benzyloxyindazole which in turn can be converted to the final product.

  描述了制备1-(2-氨丙基)-6-羟基吲唑的方法。该方法包括部分地将4-苄氧基-2-(2-羟基丙基)氨基苯甲醛与有机或无机亚硝酸盐反应，形成4-苄氧基-2-(2-羟基丙基)亚硝胺基苯甲醛，然后与还原剂反应，同时环化形成6-苄氧基-1-(2-羟基丙基)吲唑。然后，6-苄氧基-1-(2-羟基丙基)吲唑可以转化为1-(2-叠氮丙基)-6-苄氧基吲唑，随后可以转化为最终产物。
• Methods of making indazoles
  申请人：——

  公开号：US20040142998A1

  公开（公告）日：2004-07-22

  Methods of making indazoles are described. The methods involved reacting an aromatic aldehyde with a nitrogen source to form a nitroso aromatic aldehyde. The nitroso aromatic aldehyde is reacted with a reducing agent to form an indazole which ultimately can be used to form desired indazoles which are preferably pharmaceutically active products. The process of the present invention further permits the formation of enantiomerically enriched or pure indazoles such as aminoalkyl indazoles.

  本文描述了制备吲唑的方法。该方法涉及将芳香醛与氮源反应以形成亚硝基芳香醛。然后将亚硝基芳香醛与还原剂反应以形成吲唑，最终可以用于形成所需的吲唑，其最好是具有药理活性的产物。本发明的过程进一步允许形成对映富集或纯的吲唑，如氨基烷基吲唑。
• PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS
  申请人：Bristol-Myers Squibb Company

  公开号：EP3252050A1

  公开（公告）日：2017-12-06

  The present invention provides compounds of Formula (I): or stereoisomers, tautomers, or pharmaceutically acceptable salts thereof, wherein all the variables are as defined herein. These compounds are selective ROCK inhibitors. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating cardiovascular, smooth muscle, oncologic, neuropathologic, autoimmune, fibrotic, and/or inflammatory disorders using the same.

  本发明提供了式 (I) 的化合物： 或其立体异构体、同系物或药学上可接受的盐，其中所有变量如本文所定义。这些化合物是选择性 ROCK 抑制剂。本发明还涉及包含这些化合物的药物组合物以及使用这些化合物治疗心血管、平滑肌、肿瘤、神经病理、自身免疫、纤维化和/或炎症性疾病的方法。