5-ethylthio-1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboaldehyde | 915137-34-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 5-ethylthio-1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboaldehyde
• 英文别名: 5-ethylsulfanyl-1-methyl-3-trifluoromethyl-1H-pyrazole-4-carbaldehyde；5-ethylsulfanyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde
• CAS: 915137-34-7
• 化学式: C₈H₉F₃N₂OS
• 分子量: 238.233
• InChiKey: BHYOXPHBNREJQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  60.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-ethylthio-1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboaldehyde 在 sodium tetrahydroborate 、 间氯过氧苯甲酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 17.17h， 生成 (5-ethanesulfinyl-1-methyl-3-trifluoromethyl-1H-pyrazol-yl)-methanol
  参考文献：
  名称：

  WO2006/123088

  摘要：

  公开号：
• 作为产物：
  描述：

  5-氯-1-甲基-3-(三氟甲基)吡唑-4-羰醛 、 乙硫醇钠 以 N,N-二甲基甲酰胺 为溶剂， 以51%的产率得到5-ethylthio-1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboaldehyde
  参考文献：
  名称：

  WO2006/123088

  摘要：

  公开号：

文献信息

• FUSED HETEROCYCLIC COMPOUND
  申请人：Sumitomo Chemical Company, Limited

  公开号：US20150094329A1

  公开（公告）日：2015-04-02

  A compound represented by formula (1) and an N-oxide thereof have excellent pest control effect. (In the formula, Het to which R 1 —S(O) n is bonded represents a five-membered aromatic heterocyclic ring represented by formula H1, H2, H3 or H4 (wherein Y 1 represents an oxygen atom or the like; Y 2 represents an oxygen atom or the like; G 1 , G 2 and G 3 may be the same or different and each represents a nitrogen atom or the like; R 1 represents a C 1 -C 6 alkyl group which may have one or more atoms or groups selected from the group X, or the like; and n represents 0, 1 or 2); A 1 represents an oxygen atom or the like; A 2 represents a nitrogen atom or the like; A 3 represents a nitrogen atom or the like; and R 2 and R 3 may be the same or different and each represents a C 1 -C 6 chain hydrocarbon group which may have one or more atoms or groups selected from the group X, or the like.)

  通过公式（1）表示的化合物及其N-氧化物具有出色的害虫控制效果。（在该公式中，R1—S（O）结合的Het代表由公式H1、H2、H3或H4表示的五元芳香杂环环，其中Y1代表氧原子或类似物；Y2代表氧原子或类似物；G1、G2和G3可能相同也可能不同，每个代表氮原子或类似物；R1代表可能具有来自X组或类似物的一个或多个原子或基团的C1-C6烷基基团；n表示0、1或2；A1代表氧原子或类似物；A2代表氮原子或类似物；A3代表氮原子或类似物；R2和R3可能相同也可能不同，每个代表可能具有来自X组或类似物的一个或多个原子或基团的C1-C6链烃基团。）
• Fused heterocyclic compound
  申请人：Sumitomo Chemical Company, Limited

  公开号：US09120792B2

  公开（公告）日：2015-09-01

  A compound represented by formula (1) and an N-oxide thereof have excellent pest control effect. (In the formula, Het to which R1—S(O)n is bonded represents a five-membered aromatic heterocyclic ring represented by formula H1, H2, H3 or H4 (wherein Y1 represents an oxygen atom or the like; Y2 represents an oxygen atom or the like; G1, G2 and G3 may be the same or different and each represents a nitrogen atom or the like; R1 represents a C1-C6 alkyl group which may have one or more atoms or groups selected from the group X, or the like; and n represents 0, 1 or 2); A1 represents an oxygen atom or the like; A2 represents a nitrogen atom or the like; A3 represents a nitrogen atom or the like; and R2 and R3 may be the same or different and each represents a C1-C6 chain hydrocarbon group which may have one or more atoms or groups selected from the group X, or the like.).

  公式（1）所代表的化合物及其N-氧化物具有优异的杀虫效果。（在公式中，R1—S（O）n结合的Het代表由公式H1、H2、H3或H4所代表的五元芳香杂环环（其中Y1代表氧原子或类似物；Y2代表氧原子或类似物；G1、G2和G3可以相同也可以不同，每个代表氮原子或类似物；R1代表C1-C6烷基，可以有一个或多个从X等组中选择的原子或基团；n代表0、1或2）；A1代表氧原子或类似物；A2代表氮原子或类似物；A3代表氮原子或类似物；R2和R3可以相同也可以不同，每个代表C1-C6链烃基，可以有一个或多个从X等组中选择的原子或基团。）
• 4-(THIAZOL-2-YLTHIOALKYL)-PYRAZOLES AND THEIR USE AS HERBICIDES
  申请人：Syngenta Limited

  公开号：EP1885720A2

  公开（公告）日：2008-02-13
• Novel Herbicides
  申请人：Elliott Alison Clare

  公开号：US20090048112A1

  公开（公告）日：2009-02-19

  Compounds of formula (I) wherein the substituents are defined as in claim 1 , are suitable for use as herbicides. Also claimed is the intermediate (II) wherein R 1 is chloro, R 2 is hydrogen and X A is methylsulfonate, three processes for the preparation of compounds of formula (Ih) wherein m is 1 or 2, and the other substituents are defined as in claim 1 , and a process for the preparation of compounds of the formula (IVa) wherein X B is a halogen atom, and the substitutents are defined as in claim 1 .
• US9120792B2
  申请人：——

  公开号：US9120792B2

  公开（公告）日：2015-09-01