2-Ethylsulfon-pyridin-(1)-oxid | 100450-47-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-Ethylsulfon-pyridin-(1)-oxid
• 英文别名: 2-Ethylsulfonyl-1-oxidopyridin-1-ium
• CAS: 100450-47-3
• 化学式: C₇H₉NO₃S
• 分子量: 187.219
• InChiKey: VOHBUQTVRNZBDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  68
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• METHOD FOR PRODUCING 2-SUBSTITUTED-3-ETHYLSULFONYLPYRIDINE COMPOUND AND LIKE
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20200385361A1

  公开（公告）日：2020-12-10

  The present invention provides an intermediate compound for preparing a 2-substituted-3-ethylsulfonylpyridine compound, and a novel process for preparing the 2-substituted-3-ethylsulfonylpyridine compound. The present invention provides also a process for preparing a compound represented by formula (2), which comprises a step (a): a step of reacting of 3-ethylsulfonylpyridine N-oxide with a compound represented by formula (1) (wherein X represents a chlorine atom etc., Q represents a C1-3 alkoxy group optionally substituted with one or more fluorine atoms, etc.) in the presence of one or more compounds selected from Group P, a carboxylic acid or a carboxylate salt, a base, and a palladium compound or a nickel compound in a solvent to obtain a compound represented by formula (2), Group P: a group consisting of the following compounds: a compound represented by formula (4): R 3 P (wherein R represents an alkyl group having 1 to 6 carbon atoms, etc.), etc.; as well as a process for preparing a compound represented by formula (3), which comprises the step (a) and a step (b): a step of subjecting the compound represented by formula (2) to a reduction reaction to obtain the compound represented by formula (3).

  本发明提供了一种制备2-取代-3-乙基磺酰基吡啶化合物的中间体化合物，以及一种新的制备2-取代-3-乙基磺酰基吡啶化合物的方法。本发明还提供了一种制备由公式（2）表示的化合物的方法，其中包括步骤（a）：将3-乙基磺酰基吡啶N-氧化物与由公式（1）表示的化合物（其中X表示氯原子等，Q表示可选地取代有一个或多个氟原子的C1-3烷氧基等）在溶剂中，与来自P组中选择的一个或多个化合物，包括羧酸或羧酸盐，碱，钯化合物或镍化合物反应，以得到由公式（2）表示的化合物。P组：由以下化合物组成的一组化合物：由公式（4）表示的化合物：R3P（其中R表示具有1至6个碳原子的烷基等）。本发明还提供了一种制备由公式（3）表示的化合物的方法，其中包括步骤（a）和步骤（b）：将由公式（2）表示的化合物进行还原反应，以得到由公式（3）表示的化合物。
• 2-Ethylsulfonyl pyridine 1-oxide derivatives
  申请人：UNIROYAL, INC.

  公开号：EP0079154A2

  公开（公告）日：1983-05-18

  Superior herbicial compounds, and compositions thereof, are provided having the formula: wherein X and X' are the same of different and are chloro or fluoro.

  所提供的高级除草剂化合物及其组合物具有以下式子： 其中 X 和 X'是相同或不同的，并且是氯或氟。
• METHOD FOR PRODUCING 2-SUBSTITUTED-3-ETHYLSULFONYL PYRIDINE COMPOUND AND LIKE
  申请人：Sumitomo Chemical Company Limited

  公开号：EP3722289A1

  公开（公告）日：2020-10-14

  The present invention provides an intermediate compound for preparing a 2-substituted-3-ethylsulfonylpyridine compound, and a novel process for preparing the 2-substituted-3-ethylsulfonylpyridine compound. The present invention provides also a process for preparing a compound represented by formula (2), which comprises a step (a): a step of reacting of 3-ethylsulfonylpyridine N-oxide with a compound represented by formula (1) (wherein X represents a chlorine atom etc., Q represents a C1-3 alkoxy group optionally substituted with one or more fluorine atoms, etc.) in the presence of one or more compounds selected from Group P, a carboxylic acid or a carboxylate salt, a base, and a palladium compound or a nickel compound in a solvent to obtain a compound represented by formula (2), Group P: a group consisting of the following compounds: a compound represented by formula (4): R3P (wherein R represents an alkyl group having 1 to 6 carbon atoms, etc.), etc.; as well as a process for preparing a compound represented by formula (3), which comprises the step (a) and a step (b) : a step of subjecting the compound represented by formula (2) to a reduction reaction to obtain the compound represented by formula (3).

  本发明提供了一种制备 2-取代-3-乙基磺酰基吡啶化合物的中间体化合物，以及一种制备 2-取代-3-乙基磺酰基吡啶化合物的新工艺。本发明还提供了一种制备由式（2）代表的化合物的工艺，该工艺包括步骤（a）：3-乙基磺酰基吡啶 N-氧化物与由式（1）代表的化合物反应的步骤（其中 X 代表氯原子等、Q 代表任选被一个或多个氟原子取代的 C1-3 烷氧基等）在一种或多种选自 P 组的化合物、羧酸或羧酸盐、碱和钯化合物或镍化合物存在下，在溶剂中反应，得到式（2）代表的化合物，P 组：由下列化合物组成的一组：式（4）代表的化合物：R3P(其中 R 代表具有 1 至 6 个碳原子的烷基等)等；以及制备式(3)所代表的化合物的工艺，其包括步骤(a)和步骤(b)：将式(2)所代表的化合物进行还原反应以得到式(3)所代表的化合物的步骤。
• Benzimidazole derivatives as modulators of ROR-gamma
  申请人：Vitae Pharmaceuticals, LLC

  公开号：US10829481B2

  公开（公告）日：2020-11-10

  Provided are novel compounds of Formula I: pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof, which are useful in the treatment of diseases and disorders mediated by RORy. Also provided are pharmaceutical compositions comprising the novel compounds of Formula I and methods for their use in treating one or more inflammatory, metabolic, autoimmune and other diseases or disorders.

  本发明提供了式 I 的新型化合物：其药学上可接受的盐及其药物组合物，它们可用于治疗由 RORy 介导的疾病和失调。还提供了包含式 I 新型化合物的药物组合物及其用于治疗一种或多种炎症、代谢、自身免疫和其他疾病或紊乱的方法。
• BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA
  申请人：Vitae Pharmaceuticals, Inc.

  公开号：EP3408268A1

  公开（公告）日：2018-12-05