N-(4-chlorophenyl)-1,2-dihydro-2-thioxo-3-pyridinecarboxamide | 104857-17-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(4-chlorophenyl)-1,2-dihydro-2-thioxo-3-pyridinecarboxamide
• 英文别名: N-(4-Chlorophenyl)-2-mercaptopyridine-3-carboxamide；N-(4-chlorophenyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
• CAS: 104857-17-2
• 化学式: C₁₂H₉ClN₂OS
• 分子量: 264.735
• InChiKey: WYADQXWNVAOCBA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  73.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(4-chlorophenyl)-1,2-dihydro-2-thioxo-3-pyridinecarboxamide 在 吡啶 、 氯化亚砜 作用下， 以 氯仿 为溶剂， 反应 0.17h， 以90%的产率得到2-(4-chlorophenyl)-3-oxoisothiazolo<5,4-b>pyridine
  参考文献：
  名称：

  2-取代的3-氧代异噻唑并[5,4- b ]吡啶的合成

  摘要：

  从2-氯-3-吡啶羧酸1开始，研究了制备3-氧代异噻唑并[4，5- b ]吡啶10的三种不同途径。

  DOI：

  10.1002/jhet.5570220543
• 作为产物：
  描述：

  2-(4-chlorophenyl)-3-oxoisothiazolo<5,4-b>pyridine 在 盐酸 、 sodium hydrogensulfite 作用下， 以 水 为溶剂， 反应 1.0h， 以92%的产率得到N-(4-chlorophenyl)-1,2-dihydro-2-thioxo-3-pyridinecarboxamide
  参考文献：
  名称：

  2-取代的3-氧代异噻唑并[5,4- b ]吡啶的合成

  摘要：

  从2-氯-3-吡啶羧酸1开始，研究了制备3-氧代异噻唑并[4，5- b ]吡啶10的三种不同途径。

  DOI：

  10.1002/jhet.5570220543

文献信息

• A transition metal-free tandem process to pyridazinopyrido[3,2-f][1,4]thiazepine-diones via Smiles rearrangement
  作者：Xiaoyi Niu、Bingchuan Yang、Yanqiu Li、Shuai Fang、Zixiao Huang、Caixia Xie、Chen Ma

  DOI：10.1039/c3ob40719e

  日期：——

  A transition metal-free methodology for the synthesis of pyridazinopyrido[3,2-f][1,4]thiazepine-diones was studied. The construction of this tricyclic system went through a one-pot coupling/Smiles rearrangement/cyclization process. The high yields of pure products were obtained through simple recrystallization.

  研究了一种合成哒嗪并吡啶并[3,2-f][1,4]硫氮杂卓二酮的无过渡金属方法。该三环体系的构建是通过一锅耦合/斯迈尔斯重排/环化过程完成的。通过简单的重结晶获得了高产率的纯产品。
• Synthesis of 2,2′-dithiobis- and 2,2′-trithiobis-3-pyridinecarboxylic acid derivatives as new potential radiosensitizers/radioprotectors
  作者：A. Monge、V. Martinez-Merino、E. Fernández-Alvarez

  DOI：10.1002/jhet.5570250103

  日期：1988.1

  This paper reports the synthesis of dithio and trithio derivatives of 1,2-dihydro-2-thioxopyridine, starting with 1,2-dihydro-2-thioxo-3-pyridine carboxylic acid 1.

  本文报道二硫的合成和1,2-二氢-2- thioxopyridine的三硫代衍生物，开始与1,2-二氢-2-硫代-3-吡啶羧酸1。
• Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein
  申请人：Honda Takahiro

  公开号：US20070149574A1

  公开（公告）日：2007-06-28

  A novel cyclic compound having a 4-pyridylalkylthio group having an (un)substituted amino group introduced therein or a salt thereof. They are useful as a medicine. The cyclic compound is a compound represented by the following formula (1), which is useful for the treatment of diseases in which angiogenesis participates. In the following formula (1), ring A represents a benzene ring or a 5- or 6-membered aromatic heterocycle optionally fused with a cycloalkane ring; B represents alkylene; R 1 and R 2 each represents H, (substituted) aryl, (substituted) heterocyclic group, etc.; R 3 and R 4 each represents H, (substituted) alkyl, (substituted) cycloalkyl, -Z-R 5 , etc.; R 5 represents (substituted) alkyl, (substituted) aryl, (substituted) heterocyclic group, etc.; X and Y each represents H, etc.; Z represents —CO—, —COO—, —CONR 6 —, —SO 2 —, etc.; R 6 represents H, etc.; p is 0, 1, or 2; and q is 0 or 1.

  一种具有4-吡啶基烷基硫基团的新型环状化合物，其中引入了（未）取代氨基或其盐。它们可用作药物。环状化合物是由以下式（1）表示的化合物，可用于治疗参与血管生成的疾病。在下式（1）中，环A表示苯环或5-或6-成员芳香杂环，可选择地与环烷环融合；B表示烷基；R1和R2各表示H，（取代）芳基，（取代）杂环基等；R3和R4各表示H，（取代）烷基，（取代）环烷基，-Z-R5等；R5表示（取代）烷基，（取代）芳基，（取代）杂环基等；X和Y各表示H等；Z表示-CO-，-COO-，-CONR6-，-SO2-等；R6表示H等；p为0、1或2；q为0或1。
• Novel Cyclic Compound Having Pyrimidinylalkylthio Group
  申请人：Tajima Hisashi

  公开号：US20090291951A1

  公开（公告）日：2009-11-26

  The present invention has its object to study synthesis of novel cyclic compounds having a pyrimidinylalkylthio group and to find pharmacological actions of the compounds. According to the present invention, a compound represented by the formula (1) or a salt thereof is provided. In the formula, the ring X represents: R 1 and R 2 independently represent a hydrogen atom, an alkyl group, an aryl group, an aromatic heterocyclic group or the like; R 3 represents a hydrogen atom, a halogen atom, a hydroxy group, an alkoxy group, an aryloxy group, an alkyl group, an aryl group, an amino group, an alkylamino group or the like; A 1 represents a sulfur atom or the like; and A 2 represents an alkylene group.

  本发明旨在研究具有嘧啶基烷基硫基团的新型环状化合物的合成，并找到这些化合物的药理作用。根据本发明，提供了由式（1）表示的化合物或其盐。其中，环X表示：R1和R2独立地表示氢原子、烷基、芳基、芳香杂环基或类似物；R3表示氢原子、卤原子、羟基、烷氧基、芳氧基、烷基、芳基、氨基、烷基氨基或类似物；A1表示硫原子或类似物；A2表示烷基链。
• Novel cyclic compound having quinolylalkylthio group
  申请人：Kawashima Kenji

  公开号：US20080021064A1

  公开（公告）日：2008-01-24

  The present invention relates to a synthesis study of novel cyclic compounds having a quinolylalkylthio group represented by the formula (1), and pharmacological actions of the compounds. In the formula, the ring X represents: which may have halogen and/or alkyl; R 1 and R 2 independently represent hydrogen, alkyl, cycloalkyl, aryl or a (non) aromatic heterocycle; R 3 represents qinolyl; A represents sulfur, sulfinyl or sulfonyl; and B represents alkylene.

  本发明涉及一种合成具有式（1）所表示的喹诺基烷基硫基的新型环状化合物的研究，以及所述化合物的药理作用。在该式中，环X代表：可能具有卤素和/或烷基；R1和R2独立地表示氢、烷基、环烷基、芳基或（非）芳香杂环；R3表示喹诺基；A表示硫、亚砜或磺酰基；B表示烷基。