1-methyl-3-(trifluoromethyl)pyrrole | 135790-60-2

• 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-3-(trifluoromethyl)pyrrole
• 英文别名: 1H-Pyrrole, 1-methyl-3-(trifluoromethyl)-
• CAS: 135790-60-2
• 化学式: C₆H₆F₃N
• 分子量: 149.116
• InChiKey: MYHIVYMHAQNXAY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  4.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-methyl-2,5-dimethylthiopyrrole 在 镍 、 三乙胺 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 168.0h， 生成 1-methyl-3-(trifluoromethyl)pyrrole
  参考文献：
  名称：

  Photochemical Trifluoromethylation of 1-Methylimidazoles and 1-Methylpyrroles Containing Methylthio Groups

  摘要：

  标题反应是通过紫外线（254 纳米）照射 CF3I 实现的。引入甲硫基是为了增加电子密度并限制环中的可用反应位点。三氟甲基化后，甲硫基很容易通过氢解（Raney Ni）去除，得到所需的三氟甲基杂环。

  DOI：

  10.1246/bcsj.64.2255

文献信息

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

  公开号：US20200399278A1

  公开（公告）日：2020-12-24

  The present invention provides a compound having an excellent control effect on a harmful arthropod. A compound represented by formula (I) [wherein Q represents a group represented by Q1 or a group represented b Q2; Z represents an oxygen atom or a sulfur atom; A 1 represents a nitrogen atom or the like; A 2 represents a CR 4a or the like; A 3 represents a nitrogen atom, a CR 4b , or the like; B 1 represents a CR 1 or the like; B 2 represents a nitrogen atom, a CR 6b , or the like; B 3 represents a nitrogen atom, a CR 6c , or the like; R 1 represents a C1-C6 chain hydrocarbon group having 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 chain hydrocarbon group or the like; R 3 represents a C1-C6 chain hydrocarbon group or the like; R 4a , R 4b , R 6b , and R 6c are identical to or different from each other, and each represent a hydrogen atom or the like; n represents 0, 1, or 2; and q represents 0, 1, 2, or 3] or an N-oxide compound thereof has an excellent control effect on a harmful arthropod.

  本发明提供了一种对有害节肢动物具有优异控制效果的化合物。由式（I）表示的化合物 [其中 Q代表由Q1表示的基团或由Q2表示的基团; Z代表氧原子或硫原子; A 1 代表氮原子或类似物; A 2 代表CR 4a 或类似物; A 3 代表氮原子、CR 4b 或类似物; B 1 代表CR 1 或类似物; B 2 代表氮原子、CR 6b 或类似物; B 3 代表氮原子、CR 6c 或类似物; R 1 代表具有来自氰基团和卤原子等组成的一个或多个取代基的C1-C6链烃基，或类似物; R 2 代表C1-C6链烃基或类似物; R 3 代表C1-C6链烃基或类似物; R 4a 、R 4b 、R 6b 和R 6c 彼此相同或不同，每个代表氢原子或类似物; n代表0、1或2;以及 q代表0、1、2或3] 或其N-氧化物在有害节肢动物上具有优异的控制效果。
• HETEROCYCLIC COMPOUND AND ARTHROPOD PEST CONTROL COMPOSITION CONTAINING SAME
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20210030003A1

  公开（公告）日：2021-02-04

  The present invention provides a compound that has an excellent control effect on arthropod pests, and is represented by formula (I) [wherein Q represents a group represented by Q1, or the like, n is 0, 1, or 2, R 2 represents a C1-C6 alkyl group which may optionally have one or more halogen atoms, or the like, Y a represents an oxygen atom, a sulfur atom, or NR 3a , G 1 represents a nitrogen atom or CR 5a , G 2 represents a nitrogen atom or CR 5b , A 2 represents a nitrogen atom or CR 4a , A 3 represents a nitrogen atom or CR 4b , A 4 represents a nitrogen atom or CR 4c , and R 3a , R 4a , R 4b , R 4c , R 5a , and R 5b represent a C1-C6 chain hydrocarbon group or the like, and T represents a C1-C10 chain hydrocarbon group which may optionally have one or more halogen atoms, or the like].

  本发明提供了一种对节肢动物害虫具有优异控制效果的化合物，其化学式表示为（I）[其中Q代表由Q1等表示的基团，n为0、1或2，R2代表可能含有一个或多个卤素原子等的C1-C6烷基基团，Ya代表氧原子、硫原子或NR3a，G1代表氮原子或CR5a，G2代表氮原子或CR5b，A2代表氮原子或CR4a，A3代表氮原子或CR4b，A4代表氮原子或CR4c，而R3a、R4a、R4b、R4c、R5a和R5b代表C1-C6链烃基团等，T代表可能含有一个或多个卤素原子等的C1-C10链烃基团]。
• HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD CONTROLLING AGENT CONTAINING SAME
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20210084903A1

  公开（公告）日：2021-03-25

  The present invention provides a compound substituted with an excellent control effect against a harmful arthropod, which is represented by formula (I) Het-Q  (I) wherein Q represents a group represented by Q1, etc., Het represents a group represented by Het1, etc., R 2 represents a C1-C6 alkyl group, etc., G 1 represents a nitrogen atom or CR 3a , G 2 represents a nitrogen atom or CR 3b , G 3 represents a nitrogen atom or CR 3c , G 4 represents a nitrogen atom or CR 3d , R 3a , R 3b , R 3c , and R 3d are identical to or different from each other and represent a C1-C6 chain hydrocarbon group, etc., n represents 0, 1, or 2, T represents a C1-C10 chain hydrocarbon group substituted with one or more halogen atoms, etc., A 2 represents a nitrogen atom or CR 4a , A 3 represents a nitrogen atom or CR 4b , R 4a and R 4b are identical to or different from each other and represent a C1-C6 chain hydrocarbon group, W 1 represents an oxygen atom, etc., and R 6 represents a C1-C6 chain hydrocarbon group, etc.

  本发明提供了一种具有对有害节肢动物具有优异控制效果的化合物，其表示为公式（I）Het-Q（I），其中Q代表由Q1等表示的基团，Het代表由Het1等表示的基团，R2代表C1-C6烷基基团等，G1代表氮原子或CR3a，G2代表氮原子或CR3b，G3代表氮原子或CR3c，G4代表氮原子或CR3d，R3a、R3b、R3c和R3d彼此相同或不同且代表C1-C6链烃基团等，n代表0、1或2，T代表一个或多个卤原子取代的C1-C10链烃基团等，A2代表氮原子或CR4a，A3代表氮原子或CR4b，R4a和R4b彼此相同或不同且代表C1-C6链烃基团，W1代表氧原子等，R6代表C1-C6链烃基团等。
• PhI(OAc)2-mediated oxidative trifluoromethylation of arenes with CF3SiMe3 under metal-free conditions
  作者：Xinyue Wu、Lingling Chu、Feng-Ling Qing

  DOI：10.1016/j.tetlet.2012.11.011

  日期：2013.1

  A PhI(OAc)2-mediated oxidative trifluoromethylation of arenes with CF3SiMe3 under metal-free conditions has been described. This protocol precludes the need of substrate pre-functionalization and metal catalysts, enabling a direct access to a series of trifluoromethylated arenes and heterocycles containing common functional groups in moderate and good yields.

  已经描述了在无金属条件下用CF 3 SiMe 3进行的Phi（OAc）2介导的芳烃的氧化三氟甲基化。该方案排除了对底物进行预官能化和金属催化剂的需要，从而能够以中等和良好的收率直接进入一系列含有常见官能团的三氟甲基化的芳烃和杂环。
• 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。