1,1,1,2,2,3,3,4,4-nonafluoro-5-pentyl triflate | 183997-39-9

• 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: 1,1,1,2,2,3,3,4,4-nonafluoro-5-pentyl triflate
• 英文别名: 2,2,3,3,4,4,5,5,5-nonafluoropentyl trifluoromethanesulfonate
• CAS: 183997-39-9
• 化学式: C₆H₂F₁₂O₃S
• 分子量: 382.127
• InChiKey: PUPVPFILSPDTAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  22
• 可旋转键数：
  5
• 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：
  15

反应信息

• 作为反应物：
  描述：

  1,1,1,2,2,3,3,4,4-nonafluoro-5-pentyl triflate 以 乙酸乙酯 、 甲苯 为溶剂， 反应 154.0h， 生成 1,3-bis(1,1,1,2,2,3,3,4,4-nonafluoro-5-pentyl)imidazolium triflate
  参考文献：
  名称：

  轻氟NHC配体及其钯配合物的合成与表征

  摘要：

  含有全氟正丙基，全氟正丁基和全氟叔丁氧基的轻氟马尾辫被用来合成轻氟α-烯烃，支链二烷基碘化物，烷基三氟甲磺酸酯，烷基咪唑和二烷基咪唑鎓盐。后者用于制备两种轻氟的N，N′-二烷基-咪唑-2-亚烷基二碘钯（II）配合物。在全氟（甲基环己烷）/甲苯两相体系中测量了轻氟烯烃，碘化物和三氟甲磺酸酯的氟分配系数，这表明，轻氟马尾辫较短且对环境更友好的全氟烷基链导致较低的氟分配系数，特别是随着亚甲基数目的增加。

  DOI：

  10.1016/j.jorganchem.2020.121634
• 作为产物：
  描述：

  九氟戊酸 在 lithium aluminium tetrahydride 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 生成 1,1,1,2,2,3,3,4,4-nonafluoro-5-pentyl triflate
  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

• [EN] NITRILE COMPOUND AND ITS USE IN PEST CONTROL<br/>[FR] COMPOSE NITRILE ET SON UTILISATION POUR LE CONTROLE DES INSECTES ET ANIMAUX NUISIBLES
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2005063694A1

  公开（公告）日：2005-07-14

  The present invention provides a nitrile compound represented by the formula (I): wherein R represents C1-C4 fluoroalkyl, Q represents halogen, C1-C11 alkyl optionally substituted with halogen, C2-C6 alkenyl group optionally substituted with halogen, C2-C6 alkynyl optionally substituted with halogen, C3-C7 cycloalkyl optionally substituted with halogen or (C3-C7 cycloalkyl optionally substituted with halogen)C1-C4 alkyl, which has excellent control effect against pests.

  本发明提供了一种由式(I)表示的腈化合物：其中R代表C1-C4氟烷基，Q代表卤素，C1-C11烷基可选择地取代卤素，C2-C6烯基基团可选择地取代卤素，C2-C6炔基可选择地取代卤素，C3-C7环烷基可选择地取代卤素或(C3-C7环烷基可选择地取代卤素)C1-C4烷基，对害虫具有出色的控制效果。
• HETEROARYL AZOLE COMPOUND AND PEST CONTROL AGENT
  申请人：NIPPON SODA CO., LTD.

  公开号：US20210269415A1

  公开（公告）日：2021-09-02

  A heteroaryl azole compound of the following formula (II): an N-oxide compound, stereoisomer, tautomer or hydrate thereof, or a salt of any of these compounds. In the formula (II), R 1 represents a substituted or unsubstituted C1-6 alkylthio group or the like; B 1 represents a nitrogen atom or CR 2 ; R 2 represents a hydrogen atom, a substituted or unsubstituted C1-6 alkyl group or the like; R 3 represents a hydrogen atom, a substituted or unsubstituted C1-6 alkyl group or the like; R represents a substituted or unsubstituted C1-6 alkyl group or the like; A represents a carbon atom or a nitrogen atom; X represents a substituted or unsubstituted C1-6 alkyl group or the like; n represents a number of chemically acceptable X, and is an integer of 0 to 2; and X is the same or different when n is 2.

  以下是公式（II）的杂环唑化合物：一种N-氧化物化合物、立体异构体、互变异构体或其水合物，或这些化合物的盐。在公式（II）中，R1代表取代或未取代的C1-6烷基硫基团或类似物；B1代表氮原子或CR2；R2代表氢原子、取代或未取代的C1-6烷基团或类似物；R3代表氢原子、取代或未取代的C1-6烷基团或类似物；R代表取代或未取代的C1-6烷基团或类似物；A代表碳原子或氮原子；X代表取代或未取代的C1-6烷基团或类似物；n代表化学上可接受的X的数量，是0到2之间的整数；当n为2时，X可以相同也可以不同。
• [EN] AMIDINE COMPOUNDS AND USE THEREOF FOR PLANT DISEASE CONTROL<br/>[FR] COMPOSÉS AMIDINE ET LEUR UTILISATION POUR LUTTER CONTRE DES MALADIES DE PLANTES
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2012090969A1

  公开（公告）日：2012-07-05

  An amidine compound represented by formula (1): wherein R1 represent a C1-C11 fluoroalkyl group, a C3-C11 fluoroalkenyl group or a C3-C11 fluoroalkynyl group; R2 represent a C1-C3 alkyl group; R3 represent a C1-C3 alkyl group; R4 represent a C3-C6 cycloalkyl group or a C1-C6 alkyl group optionally having one or more halogens and R5 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.

  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。
• Nitrile compound and its use in pest control
  申请人：Oohira Daisuke

  公开号：US20070112068A1

  公开（公告）日：2007-05-17

  The present invention provides a nitrile compound represented by the formula (I): wherein R represents C1-C4 fluoroalkyl, Q represents halogen, C1-C11 alkyl optionally substituted with halogen, C2-C6 alkenyl group optionally substituted with halogen, C2-C6 alkynyl optionally substituted with halogen, C3-C7 cycloalkyl optionally substituted with halogen or (C3-C7 cycloalkyl optionally substituted with halogen) C1-C4 alkyl, which has excellent control effect against pests.

  本发明提供一种由公式（I）表示的腈化合物：其中，R代表C1-C4氟烷基，Q代表卤素，C1-C11烷基可选地取代卤素，C2-C6烯基可选地取代卤素，C2-C6炔基可选地取代卤素，C3-C7环烷基可选地取代卤素或（C3-C7环烷基可选地取代卤素）C1-C4烷基，该化合物具有优异的对害虫的控制效果。
• 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。