7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one | 1613150-00-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
• 英文别名: 7-(Trifluoromethyl)-[1,2,4]triazolo[4,3-A]pyridin-3-OL；7-(trifluoromethyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
• CAS: 1613150-00-7
• 化学式: C₇H₄F₃N₃O
• 分子量: 203.123
• InChiKey: IUTDVBUPXJXUFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  44.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (2R,3R,4R,5S,6S)-2-(acetoxymethyl)-6-(4-chloro-3-(hydroxymethyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate 、 7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 反应 15.0h， 生成 (2R,3R,4R,5S,6S)-2-(acetoxymethyl)-6-(4-chloro-3-((3-oxo-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)methyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
  参考文献：
  名称：

  The design and synthesis of novel SGLT2 inhibitors: C-glycosides with benzyltriazolopyridinone and phenylhydantoin as the aglycone moieties

  摘要：

  The sodium glucose co-transporter 2 (SGLT2) has received considerable attention in recent years as a target for the treatment of type 2 diabetes mellitus. This report describes the design, synthesis and structure-activity relationship (SAR) of C-glycosides with benzyltriazolopyridinone and phenylhydantoin as the aglycone moieties as novel SGLT2 inhibitors. Compounds 5p and 33b demonstrated high potency in inhibiting SGLT2 and high selectivity against SGLT1. The in vitro ADMET properties of these compounds will also be discussed. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2014.04.036
• 作为产物：
  描述：

  2-肼基-4-三氟甲基吡啶 在 三乙氧基硅烷 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 140.0 ℃ 、101.33 kPa 条件下， 反应 48.0h， 生成 7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
  参考文献：
  名称：

  碱促进的2-肼基吡啶和二氧化碳向三唑酮的环化

  摘要：

  在硅烷作为还原剂存在下，开发了碱促进的2-肼基吡啶环化反应和大气压下的CO 2，可提供中等至极好的收率的三唑酮系列。在这种转化过程中，CO 2用作羰基来源。此外，苯并dra唑酮在该程序下也能很好地工作。因此，它代表了访问三唑酮框架的绿色，可持续和直接途径。

  DOI：

  10.1002/adsc.201700869

文献信息

• HETEROCYCLIC COMPOUNDS AND NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING SAME
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20210059255A1

  公开（公告）日：2021-03-04

  The present invention provides a compound that have excellent harmful arthropod controlling effects, the compounds being represented by formula (I) [wherein Q represents a group represented by formula Q1 or the like, Z represents an oxygen atom or a sulfur atom, A 1 represents a nitrogen atom or CR 6a , A 2 represents a nitrogen atom or CR 6b , A 3 represents a nitrogen atom or CR 6c , A 4 represents CR 1a or the like, A 5 represents a nitrogen atom or CR 6e or the like, A 6 represents a nitrogen atom or CR 6f , R 6a represents a hydrogen atom or the like, R 6b represents a C1-C6 chain hydrocarbon group or the like, R 6c , R 6e , R 6f are identical to or different from each other, and each represents a C1-C6 chain hydrocarbon group or the like, R 1a represents a C1-C6 chain hydrocarbon group or the like, R 2 represents a C1-C6 chain hydrocarbon group or the like, R 3 represents a C1-C6 chain hydrocarbon group or the like, and n is 0, 1 or 2] or its N oxide compound.

  本发明提供了一种具有优异有害节肢动物控制效果的化合物，该化合物由式（I）表示【其中Q表示由式Q1或类似物表示的基团，Z表示氧原子或硫原子，A1表示氮原子或CR6a，A2表示氮原子或CR6b，A3表示氮原子或CR6c，A4表示CR1a或类似物，A5表示氮原子或CR6e或类似物，A6表示氮原子或CR6f，R6a表示氢原子或类似物，R6b表示C1-C6链烃基或类似物，R6c，R6e，R6f彼此相同或不同，且各自表示C1-C6链烃基或类似物，R1a表示C1-C6链烃基或类似物，R2表示C1-C6链烃基或类似物，R3表示C1-C6链烃基或类似物，n为0、1或2】或其N氧化物化合物。
• HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD-CONTROLLING COMPOSITION CONTAINING SAME
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20210380610A1

  公开（公告）日：2021-12-09

  The present invention provides a compound represented by formula (I) [wherein: Q represents a group represented by Q1 or a group represented by Q2; Z represents an oxygen atom or the like; A 2 , A 3 , and A 6 each represent a nitrogen atom or the like; A 4 represents CR 1a or the like; A 5 represents a nitrogen atom or the like; A 7 represents NR 6g or the like; G 1 , G 2 , G 3 , and G 4 each represent a nitrogen atom or the like; R 1a represents a C1-C6 chain hydrocarbon group substituted with one or more substituent(s) selected from the group consisting of a cyano group and a halogen atom, or the like; R 2 represents a C1-C6 alkyl group optionally substituted with one or more halogen atom(s), or the like; and n represents 0, 1, or 2] or an N-oxide thereof having an excellent control effect on a harmful arthropod, and a composition for controlling a harmful arthropod comprising said compound, and a method for controlling a harmful arthropod which comprises applying said compound.

  本发明提供了一种由式（I）表示的化合物[其中：Q表示由Q1表示的基团或由Q2表示的基团；Z表示氧原子或类似物；A2、A3和A6分别表示氮原子或类似物；A4表示CR1a或类似物；A5表示氮原子或类似物；A7表示NR6g或类似物；G1、G2、G3和G4分别表示氮原子或类似物；R1a表示一个或多个取自氰基团和卤素原子等的取代基取代的C1-C6链烃基；R2表示一个或多个卤素原子等的取代的C1-C6烷基；n表示0、1或2]或其在有害节肢动物上具有优异控制效果的N-氧化物，以及包括所述化合物的用于控制有害节肢动物的组合物，以及包括应用所述化合物的用于控制有害节肢动物的方法。