S-(3,3,3-trifluoropropyl) benzenethioate | 857297-24-6

• 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: S-(3,3,3-trifluoropropyl) benzenethioate
• 英文别名: S-(3,3,3-trifluoropropyl)benzenethioate；S-(3,3,3-trifluoropropyl) benzenecarbothioate
• CAS: 857297-24-6
• 化学式: C₁₀H₉F₃OS
• 分子量: 234.242
• InChiKey: BXLXWOFFTMNJHX-UHFFFAOYSA-N

物化性质

• 沸点：
  244.9±40.0 °C(Predicted)
• 密度：
  1.270±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-bromo-5,5,6,6,6-pentafluorohexanenitrile 、 S-(3,3,3-trifluoropropyl) benzenethioate 在 甲醇 、 sodium methylate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 1.0h， 生成 5,5,6,6,6-pentafluoro-2-(3,3,3-trifluoropropylthio)hexanenitrile
  参考文献：
  名称：

  WO2007/60839

  摘要：

  公开号：
• 作为产物：
  描述：

  硫代苯甲酸 、 3-溴-1，1，1-三氟丙烷 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 S-(3,3,3-trifluoropropyl) benzenethioate
  参考文献：
  名称：

  WO2007/60839

  摘要：

  公开号：

文献信息

• [EN] FLUORINE-CONTAINING ORGANOSULFUR COMPOUND AND PESTICIDAL COMPOSITION COMPRISING THE SAME<br/>[FR] COMPOSÉ ORGANO-SOUFRÉ CONTENANT DU FLUOR ET COMPOSITION PESTICIDE COMPRENANT CELUI-CI
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2009028727A1

  公开（公告）日：2009-03-05

  There is provided a fluorine-containing organosulfur compound having an excellent controlling effect on arthropod pests represented by the formula (I): wherein m represents 0 or 1; n represents 0, 1 or 2; A represents an optionally substituted 5-membered aromatic heterocyclic group; R1 and R3 are independently represent an optionally substituted C1-C4 chain hydrocarbon group, -C(=G)R5, cyano, halogen or hydrogen; R2 and R4 independently represent an optionally substituted C1-C4 chain hydrocarbon group, halogen or hydrogen; Q represents a C1-C5 haloalkyl group containing at least one fluorine, or fluorine; G represents oxygen or sulfur; and R5 represents optionally substituted C1-C4 alkyl, hydroxyl, optionally substituted C1-C4 alkoxy, optionally substituted C3-C6 alkenyloxy, optionally substituted C3-C6 alkynyloxy, amino, optionally substituted C1-C4 alkylamino, optionally substituted di(C1-C4 alkyl)amino, C2-C5 cyclic amino or hydrogen.

  提供一种含氟有机硫化合物，对由公式（I）表示的节肢动物害虫具有优异的控制效果：其中m表示0或1；n表示0、1或2；A表示可选择取代的5-成员芳香杂环基团；R1和R3独立地表示可选择取代的C1-C4链烃基团，-C(=G)R5，氰基，卤素或氢原子；R2和R4独立地表示可选择取代的C1-C4链烃基团，卤素或氢原子；Q表示含有至少一个氟原子的C1-C5卤代烷基团，或氟原子；G表示氧或硫；R5表示可选择取代的C1-C4烷基，羟基，可选择取代的C1-C4烷氧基，可选择取代的C3-C6烯基氧基，可选择取代的C3-C6炔基氧基，氨基，可选择取代的C1-C4烷基氨基，可选择取代的二（C1-C4烷基）氨基，C2-C5环氨基或氢原子。
• METHOD FOR PREPARING THIOCARBOXYLIC ACID S-(FLUOROALKYL) ESTER
  申请人：Sumitomo Chemical Company Limited

  公开号：EP2684870A1

  公开（公告）日：2014-01-15

  It is provided that a method for producing a thiocarboxylic acid S-(fluoroalkyl) ester represented by formula (III) [wherein R1 represents a methyl group, an ethyl group or a phenyl group, and R2 represents a C1-C5 fluoroalkyl group] by reacting a thiocarboxylic acid represented by formula (I) [wherein R1 has the same meaning as defined above] with a fluoroolefin represented by formula (II) [wherein R2 has the same meaning as defined above] in the presence of a radical generator.

  根据所提供的方法，通过在自由基发生剂存在下，将公式（I）表示的硫代羧酸（其中R1代表甲基、乙基或苯基，R2代表C1-C5氟烷基）与公式（II）表示的氟烯烃（其中R2具有上述定义的相同含义）反应，可以生产一种由公式（III）表示的硫代羧酸S-(氟烷基)酯。
• [EN] FLUORINE-CONTAINING ORGANOSULFUR COMPOUND AND PESTICIDAL COMPOSITION COMPRISING THE SAME<br/>[FR] COMPOSE ORGANIQUE DU SOUFRE CONTENANT DU FLUOR ET COMPOSITION PESTICIDE LE COMPRENANT
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2009014268A1

  公开（公告）日：2009-01-29

  There is provided a fluorine-containing organosulfur compound having an excellent controlling effect on arthropod pests represented by the formula (I): wherein G represents an oxygen atom or a sulfur atom; R2 represents a C1-C4 chain hydrocarbon group which is optionally substituted with a halogen atom, etc.; R3 and R4 independently represent a C1-C4 chain hydrocarbon group or a hydrogen atom; R5 represents a C1-C5 haloalkyl group containing at least one fluorine atom, or a fluorine atom; R6 represents a halogen atom, a cyano group, a nitro group or a -(G1)q-R8 group; R7 represents an amino group etc.; R8 represents a C1-C4 chain hydrocarbon group which is optionally substituted with a halogen atom; m represents an integer of 0 to 5; n represents an integer of 0 to 2; p represents 0 or 1; q represents 0 or 1; and G1 represents an oxygen atom etc..

  提供一种含氟有机硫化合物，对由式（I）表示的节肢动物害虫具有优良的控制效果：其中G代表氧原子或硫原子；R2代表一个C1-C4链烃基，可选地取代为卤原子等；R3和R4独立地代表一个C1-C4链烃基或氢原子；R5代表至少含有一个氟原子的C1-C5卤代烷基，或氟原子；R6代表卤原子、氰基、硝基或-(G1)q-R8基团；R7代表氨基等；R8代表一个可选地取代为卤原子的C1-C4链烃基；m代表0到5之间的整数；n代表0到2之间的整数；p代表0或1；q代表0或1；G1代表氧原子等。
• [EN] FLUORINE-CONTAINING ORGANOSULFUR COMPOUND AND PESTICIDAL COMPOSITION THEREOF<br/>[FR] COMPOSÉ ORGANOSULFURÉ FLUORÉ ET COMPOSITION PESTICIDE EN CONTENANT
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2009025397A1

  公开（公告）日：2009-02-26

  There is provided a fluorine-containing organosulfur compound having an excellent control effect on harmful arthropods, which is represented by the formula (I): wherein m represents 0 or 1; n represents 0, 1 or 2; A represents an optionally substituted 6-membered aromatic heterocyclic group; R1 to R4 are the same or different and represent a hydrogen atom, a C1-C4 chain hydrocarbon group optionally substituted with a halogen atom, etc.; and Q represents a C1-C5 haloalkyl group containing at least one fluorine atom, or a fluorine atom.

  提供了一种含氟有机硫化合物，对有害节肢动物具有优异的控制效果，其化学式表示为(I)：其中，m表示0或1；n表示0、1或2；A表示可选取代的6元芳香杂环基团；R1到R4相同或不同，表示氢原子，C1-C4链烃基，在其中可选地取代卤素原子等；Q表示至少含有一个氟原子的C1-C5卤代烷基，或氟原子。
• ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPOD
  申请人：Miyazaki Hiroyuki

  公开号：US20100160430A1

  公开（公告）日：2010-06-24

  There is provided an organic sulfur compound having an excellent controlling effect on harmful arthropods represented by the formula (I): wherein, R 1 represents a C1-C5 haloalkyl group having at least one fluorine atom, R 2 represents a C1-C4 alkyl group optionally substituted with at least one halogen atom or the like, R 3 represents a hydrogen atom or the like, R 4 represents a cyano group or the like, R 5 represents a hydrogen atom or the like, m represents an integer of 1 to 4, and n represents 0, 1 or 2.

  提供了一种有机硫化合物，对由式(I)表示的有害节肢动物具有优异的控制效果：其中，R1表示至少有一个氟原子的C1-C5卤代烷基，R2表示可选地取代至少一个卤原子或类似物的C1-C4烷基，R3表示氢原子或类似物，R4表示氰基或类似物，R5表示氢原子或类似物，m表示1至4的整数，n表示0、1或2。