2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl trifluoromethanesulfonate | 168632-11-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl trifluoromethanesulfonate
• CAS: 168632-11-9
• 化学式: C₇H₂F₁₄O₃S
• 分子量: 432.135
• InChiKey: OJCJXJDRDHYJSH-UHFFFAOYSA-N

物化性质

• 沸点：
  177.7±40.0 °C(Predicted)
• 密度：
  1.742±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  17

反应信息

• 作为反应物：
  描述：

  N-ethyl-N'-(4-hydroxy-2,5-dimethylphenyl)-N-methylformamidine 、 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl trifluoromethanesulfonate 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 2.5h， 生成 N'-[2,5-dimethyl-4-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexoxy)phenyl]-N-ethyl-N-methylmethanimidamide
  参考文献：
  名称：

  [EN] AMIDINE COMPOUNDS AND USE THEREOF FOR PLANT DISEASE CONTROL
  [FR] COMPOSÉS AMIDINE ET LEUR UTILISATION POUR LUTTER CONTRE DES MALADIES DE PLANTES

  摘要：

  由以下公式（1）表示的一种胍化合物：其中R1代表C1-C11氟烷基，C3-C11氟烯基或C3-C11氟炔基；R2代表C1-C3烷基；R3代表C1-C3烷基；R4代表C3-C6环烷基或C1-C6烷基，可选地具有一个或多个卤素，R5代表C3-C6环烷基或C1-C6烷基，可选地具有一个或多个卤素，该化合物具有优良的植物病害控制效果。

  公开号：

  WO2012090969A1
• 作为产物：
  描述：

  全氟己酸 在 lithium aluminium tetrahydride 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 生成 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl trifluoromethanesulfonate
  参考文献：
  名称：

  Various synthetic approaches to fluoroalkyl p-nitrophenyl ethers

  摘要：

  Homologous 1H,1H-perfluoroalkyl p-nitrophenyl ethers (alkyl = C-2-C-8) were synthesized using different methods. The results are discussed in context with contradictory comments of the literature. The fluoroalkoxylation of p-chloronitrobenzene occurs in only one step, but it is limited to small fluoroalkyl groups. The fluoroalkylation of p-nitrophenol via sulphonic acid esters is a better synthetic route. Differences in reactivity and yield between tosylates, mesylates and triflates are found and discussed. The preferred synthesis includes the use of trifluoromethane sulphonic acid esters.

  DOI：

  10.1016/s0022-1139(96)03490-2

文献信息

• Malononitrile Compounds
  申请人：Pohlman Matthias

  公开号：US20100215777A1

  公开（公告）日：2010-08-26

  Compounds of formula (I) wherein the symbols have the meaning given in the specification, as well as processes for preparing the compounds (I), pesticidal compositions and synergistic mixtures comprising compounds (I), methods for the control of insects, acarids or nematodes by contacting the pests or their food supply, habitat or breeding grounds with a pesticidally effective amount of compounds formula (I), and a method for treating, controlling, preventing or protecting animals against infestation or infection by parasites which comprises orally, topically or parenterally administering or applying to the animals a parasiticidally effective amount of compounds of formula (I).

  式(I)的化合物，其中符号具有规范中给定的含义，以及制备式(I)的化合物的过程，包括含有式(I)的杀虫剂组合物和协同混合物，通过将式(I)的杀虫剂有效量与害虫或其食物供应、栖息地或繁殖地接触来控制昆虫、螨虫或线虫的方法，以及一种用化合物式(I)口服、局部或肌肉注射治疗、控制、预防或保护动物免受寄生虫感染或侵染的方法。
• AMIDINE COMPOUNDS AND USE THEREOF FOR PLANT DISEASE CONTROL
  申请人：Inoue Tohru

  公开号：US20130296436A1

  公开（公告）日：2013-11-07

  An amidine compound represented by formula (1): wherein R 1 represent a C1-C11 fluoroalkyl group, a C3-C11 fluoroalkenyl group or a C3-C11 fluoroalkynyl group; R 2 represent a C1-C3 alkyl group; R 3 represent a C1-C3 alkyl group; R 4 represent a C3-C6 cycloalkyl group or a C1-C6 alkyl group optionally having one or more halogens and R 5 represent a C3-C6 cycloalkyl group or a C1-C6 alkyl group optionally having one or more halogens, said compound having excellent plant disease controlling effect.

  一种由式（1）表示的酰胺化合物：其中R1表示C1-C11氟烷基，C3-C11氟烯基或C3-C11氟炔基；R2表示C1-C3烷基；R3表示C1-C3烷基；R4表示C3-C6环烷基或带有一个或多个卤素的C1-C6烷基；R5表示C3-C6环烷基或带有一个或多个卤素的C1-C6烷基，该化合物具有优异的植物病害控制效果。
• An entirely new methodology for synthesizing perfluorinated compounds: synthesis of perfluoroalkanesulfonyl fluorides from non-fluorinated compounds
  作者：Takashi Okazoe、Eisuke Murotani、Kunio Watanabe、Masahiro Itoh、Daisuke Shirakawa、Kengo Kawahara、Isamu Kaneko、Shin Tatematsu

  DOI：10.1016/j.jfluchem.2004.09.024

  日期：2004.11

  A new synthetic procedure for the preparation of perfluoroalkanesulfonyl fluorides utilizing liquid-phase direct fluorination with elemental fluorine has been developed. Direct fluorination of a partially fluorinated ester, which has alkanesulfonyl fluoride in the end, was synthesized from non-fluorinated counterparts and perfluorinated acid fluoride according to the PERFECT process, gave the desired perfluorinated product in moderate yield as well as by-products arising from C-S bond cleavage. The results of the direct fluorination of some model substrates suggest that the C-S bond cleavage occurred due to radical formation at the alpha-position rather than the beta-position. (C) 2004 Elsevier B.V. All rights reserved.
• Fluorine-containing chiral smectic liquid crystals
  申请人：MINNESOTA MINING AND MANUFACTURING COMPANY

  公开号：EP0255236B1

  公开（公告）日：1994-05-04
• LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS
  申请人：MINNESOTA MINING AND MANUFACTURING COMPANY

  公开号：EP0638112A1

  公开（公告）日：1995-02-15