toluene-4-sulfonic acid 3,3,4,4,5,5,6,6,6-nonafluorohexyl ester | 188492-56-0

• 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: toluene-4-sulfonic acid 3,3,4,4,5,5,6,6,6-nonafluorohexyl ester
• 英文别名: 3,3,4,4,5,5,6,6,6-nonafluorohexyl p-toluenesulfonate；3,3,4,4,5,5,6,6,6-nonafluorohexyl-1-toluenesulfonate；3,3,4,4,5,5,6,6,6-Nonafluorohexyl p-toluenesulfonate；3,3,4,4,5,5,6,6,6-nonafluorohexyl 4-methylbenzenesulfonate
• CAS: 188492-56-0
• 化学式: C₁₃H₁₁F₉O₃S
• 分子量: 418.28
• InChiKey: BWEHYGNVCKYQCH-UHFFFAOYSA-N

物化性质

• 沸点：
  334.5±42.0 °C(Predicted)
• 密度：
  1.464±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  toluene-4-sulfonic acid 3,3,4,4,5,5,6,6,6-nonafluorohexyl ester 在 sodium azide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以75%的产率得到己烷,6-叠氮-1,1,1,2,2,3,3,4,4-九氟-
  参考文献：
  名称：

  Light-fluorous TEMPO: reagent, spin trap and stable free radical

  摘要：

  The synthesis of two light-fluorous TEMPO derivatives is reported, along with their fluorous-organic solvent partition coefficients and their ESR spectra. Applications of the fluorous-TEMPO reagents in oxidation reactions and as radical traps are discussed. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.04.078
• 作为产物：
  描述：

  1H,1H,2H,2H-全氟己-1-醇 、 对甲苯磺酰氯 在 4-二甲氨基吡啶 、 三乙胺 作用下， 生成 toluene-4-sulfonic acid 3,3,4,4,5,5,6,6,6-nonafluorohexyl ester
  参考文献：
  名称：

  Novel light-fluorous TEMPO reagents and their application in oxidation reactions

  摘要：

  The synthesis of two light-fluorous TEMPO derivatives is reported, along with their application in oxidation reactions. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.09.092

文献信息

• ANIMAL ECTOPARASITE CONTROL COMPOSITION
  申请人：NISHIGUCHI Naonobu

  公开号：US20110160251A1

  公开（公告）日：2011-06-30

  The present invention provides an animal ectoparasite control composition containing an insecticidal component and an adipate, and a method of controlling an animal ectoparasite which comprises administering an effective amount of the animal ectoparasite control composition to an animal.

  本发明提供了一种含有杀虫成分和己二酸酯的动物外寄生虫控制组合物，以及一种控制动物外寄生虫的方法，包括向动物施用有效量的动物外寄生虫控制组合物。
• HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF
  申请人：Mitsudera Hiromasa

  公开号：US20100160422A1

  公开（公告）日：2010-06-24

  There is provided a halogen-containing organosulfur compound having an excellent controlling effect on arthropod pests represented by the formula (I): wherein, m represents 0, 1 or 2, n represents 0, 1 or 2, A represents optionally substituted C3-C7 cycloalkyl or optionally substituted C5-C7 cycloalkenyl group, Q represents a C1-C5 haloalkyl group containing at least one fluorine atom, or a fluorine atom, R 1 and R 3 independently represent optionally substituted C1-C4 chain hydrocarbon, halogen or hydrogen, R 2 and R 4 independently represent optionally substituted C1-C4 chain hydrocarbon, —C═C(=G)R 5 , cyano, halogen or hydrogen, G represents oxygen or sulfur, and R 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.

  提供了一种含卤素的有机硫化合物，其对由式（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、1或2，n表示0、1或2，A表示可选取代的C3-C7环烷基或可选取代的C5-C7环烯基基团，Q表示含有至少一个氟原子的C1-C5卤代烷基基团或氟原子，R1和R3独立地表示可选取代的C1-C4链烃基、卤素或氢，R2和R4独立地表示可选取代的C1-C4链烃基、—C═C(=G)R5、氰基、卤素或氢，G表示氧或硫，而R表示可选取代的C1-C4烷基、羟基、可选取代的C1-C4烷氧基、可选取代的C3-C6烯氧基、可选取代的C3-C6炔氧基、氨基、可选取代的C1-C4烷基氨基、可选取代的二（C1-C4烷基）氨基、C2-C5环氨基或氢。
• Halogen-containing organosulfur compound and use thereof
  申请人：Sumitomo Chemical Company, Limited

  公开号：US08247596B2

  公开（公告）日：2012-08-21

  There is provided a halogen-containing organosulfur compound having an excellent controlling effect on arthropod pests represented by the formula (I): wherein, m represents 0, 1 or 2, n represents 0, 1 or 2, A represents optionally substituted C3-C7 cycloalkyl or optionally substituted C5-C7 cycloalkenyl group, Q represents a C1-C5 haloalkyl group containing at least one fluorine atom, or a fluorine atom, R1 and R3 independently represent optionally substituted C1-C4 chain hydrocarbon, halogen or hydrogen, R2 and R4 independently represent optionally substituted C1-C4 chain hydrocarbon, —C(═G)R5, cyano, halogen or hydrogen, 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.

  提供了一种含卤有机硫化合物，其在公式(I)中表示的节肢动物害虫控制方面具有出色的控制效果：其中，m表示0、1或2，n表示0、1或2，A表示可选的取代C3-C7环烷基或可选的取代C5-C7环烯基基团，Q表示至少含有一个氟原子的C1-C5卤代烷基基团或氟原子，R1和R3独立地表示可选的取代C1-C4链烃基、卤素或氢，R2和R4独立地表示可选的取代C1-C4链烃基、—C(═G)R5、氰基、卤素或氢，G表示氧或硫，R5表示可选的取代C1-C4烷基、羟基、可选的取代C1-C4烷氧基、可选的取代C3-C6烯基氧基、可选的取代C3-C6炔基氧基、氨基、可选的取代C1-C4烷基氨基、可选的取代二(C1-C4烷基)氨基、C2-C5环氨基或氢。
• [EN] HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF<br/>[FR] COMPOSÉ ORGANOSULFURIQUE CONTENANT HALOGÈNE ET SON UTILISATION
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2009005110A3

  公开（公告）日：2009-02-19
• US8247596B2
  申请人：——

  公开号：US8247596B2

  公开（公告）日：2012-08-21