1-Methyl-1H-pyrrole-2-carbothioic acid | 153165-74-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 1-Methyl-1H-pyrrole-2-carbothioic acid
• 英文别名: 1-methylpyrrole-2-carbothioic S-acid
• CAS: 153165-74-3
• 化学式: C₆H₇NOS
• 分子量: 141.19
• InChiKey: BHLODDASNHBODY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  23
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• 2-Pyrimidinyl Pyrazolopyridine Erbb Kinase Inhibitors
  申请人：Uehling Edward David

  公开号：US20080051395A1

  公开（公告）日：2008-02-28

  The present invention provides 2-pyrimidinyl pyrazolopyridine compounds, compositions containing the same, as well as processes for the preparation and their use as pharmaceutical agents.

  本发明提供了2-嘧啶基吡唑吡啶化合物，含有这些化合物的组合物，以及其制备过程和作为药物剂的用途。
• Process for producing 4-substituted azetidinone derivatives
  申请人：SUNTORY LIMITED

  公开号：EP0563878A2

  公开（公告）日：1993-10-06

  A process for producing a 4-substituted azetidinone derivative represented by the following general formula [III]: (wherein OR is a protected hydroxy group, Y is an alkyl group, an alkoxy group, a silyloxy group, a carbamoyloxy group, an amino group, a substituted or unsubstituted aromatic group or a substituted or unsubstituted heterocyclic group, and n is an integer of 0 or 1, provided that n does not represent O when Y is an alkoxy group, silyloxy group, carbamoyloxy group or amino group), characterized in that a 2-azetidinone derivative represented by the following general formula [I]: (wherein OR is as defined above, and X is an alkyl group or a substituted or unsubstituted aromatic group) is reacted with thiocarboxylic acid represented by the following general formula [II]:         HSCO-(CH₂)n-Y   [II] (wherein Y and n are respectively as defined above) in an organic solvent in the presence of copper compounds. The aforementioned method can shorten the production process compared with the prior method. It is also highly advantageous from an industrial point of view because it does not employ mercury salts.

  一种生产由以下通式[III]表示的 4-取代的氮杂环丁酮衍生物的工艺： (其中OR是受保护的羟基，Y是烷基、烷氧基、硅烷氧基、氨基甲酰基、氨基、取代或未取代的芳香族基团或取代或未取代的杂环基团，n是0或1的整数，但当Y是烷氧基、硅烷氧基、氨基甲酰基或氨基时，n不代表O)，其特征在于由下式通式[Ⅰ]表示的2-氮杂环丁酮衍生物： (其中 OR 如上定义，X 为烷基或取代或未取代的芳香基）与以下通式[II]代表的硫代羧酸反应： HSCO-(CH₂)n-Y [II]. (其中 Y 和 n 分别如上文所定义）在有机溶剂中，在铜化合物的存在下生成。 与之前的方法相比，上述方法可以缩短生产流程。从工业角度来看，这种方法也非常有利，因为它不需要使用汞盐。
• 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS
  申请人：SmithKline Beecham Corporation

  公开号：EP1828185B1

  公开（公告）日：2009-05-06
• US5808055A
  申请人：——

  公开号：US5808055A

  公开（公告）日：1998-09-15
• US7812022B2
  申请人：——

  公开号：US7812022B2

  公开（公告）日：2010-10-12