1-(4-perfluorobutylphenyl)-1-hexanone | 160565-80-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-perfluorobutylphenyl)-1-hexanone
• 英文别名: 1-[4-(1,1,2,2,3,3,4,4,4-Nonafluorobutyl)phenyl]hexan-1-one；1-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]hexan-1-one
• CAS: 160565-80-0
• 化学式: C₁₆H₁₅F₉O
• 分子量: 394.28
• InChiKey: LCJKYMJEMIHDHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  1-(4-perfluorobutylphenyl)-1-hexanone 在 吡啶 、 4-二甲氨基吡啶 、 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 10.0h， 生成 Phosphoric acid 1-(4-nonafluorobutyl-phenyl)-hexyl ester diphenyl ester
  参考文献：
  名称：

  Synthesis of phosphate-type fluorocarbon–hydrocarbon hybrid surfactants and their adsorption onto calcium hydroxyapatite

  摘要：

  Five novel phosphate-type hybrid surfactants, CmF2m+1C6H4CH[OPO2(OC6H5)Na]CnH2n+1 (FmPHnPPhNa: m 4,6, 8; n = 3, 5), have been synthesized. When compared with sulfate-type hybrid surfactants, CmF2m+1C6H4CH(OSO3Na)CnH2n+1(C6H4 p-phenylene), the new hybrid surfactants were found to have comparable abilities to lower the surface tension of water. The critical micelle concentrations of FmPHnPPhNa followed Klevens' rule and their occupied areas per molecule increased with increasing m and n. Calcium hydroxyapatite (CaHAp) pellets modified with FmPH3PPhNa gave high hydro and lipophobic surfaces. The hybrid surfactants are expected to be useful as new dental reagents for oral hygiene. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2004.05.015
• 作为产物：
  描述：

  1-(4-碘苯基)丁烷-1-酮 在 三氯化铝 、 铜 、 二甲基亚砜 作用下， 以 二氯甲烷 为溶剂， 生成 1-(4-perfluorobutylphenyl)-1-hexanone
  参考文献：
  名称：

  苯环硫酸盐型杂化表面活性剂的合成及溶液性质

  摘要：

  九种新型硫酸盐型杂化表面活性剂，C m F 2 m +1 C 6 H 4 CH（OSO 3 Na）C n H 2 n +1（F m PH n OS：m = 4，6，8; n = 3 ，5，7; C 6 H 4：p-亚苯基），在其分子中具有苯环。使烷酰氯在氯化铝的存在下与碘苯反应，得到相应的芳族酮。酮与全氟烷基碘的反应产生1- [4-（全氟烷基）苯基] -1-链烷酮作为中间体。在硼氢化钠存在下，使中间体与甲醇在四氢呋喃中反应，得到1- [4-（全氟烷基）苯基] -1-链烷醇。所需的杂化表面活性剂是通过使1- [4-（全氟烷基）苯基-1-链烷醇与三氧化硫/吡啶配合物在吡啶中反应，以及随后用氢氧化钠溶液中和产物而获得的。与常规杂化表面活性剂相比，C m F 2 m+1 C 6 H 4 COCH（SO 3 Na）C n H 2 n +1（F m H n S：m = 4，6; n = 2，4，6; C

  DOI：

  10.1016/j.jfluchem.2003.08.007

文献信息

• Solubility enhancement of phenol and phenol derivatives in perfluorooctyl bromide
  作者：Thomas D. Williams†、Michael Jay†、Hans-Joachim Lehmler‡、Michael E. Clark†、Dennis J. Stalker§、Paul M. Bummer†

  DOI：10.1021/js980156l

  日期：1998.12

  by 1-(4-perfluorobutyl phenyl)-1-hexanone (III) where the ketone carbonyl is protected from the electron withdrawing effects of the perfluorobutyl chain by a phenyl ring. Experiments with solubilizers lacking the ketone group suggest that pi-pi bond interactions of III with phenol do not significantly enhance solubility. For a series of phenol derivatives, a rank-order correlation exists between the

  全氟溶剂作为肺通气液越来越受欢迎，但是在同时给药的过程中，它们的溶剂质量较差。本研究研究了疏水增溶剂的使用，该增溶剂能够通过氢键与模型药物溶质相互作用，从而增强在全氟辛基溴化物（PFOB）中的溶解度。研究了一系列增溶剂，这些增溶剂包含羰基酮作为氢键受体和全氟烷基链，以维持假定的络合物在PFOB中的溶解度。1-（4-全氟丁基苯基）-1-己酮（III）最大程度地提高了苯酚在PFOB中的溶解度，其中酮羰基受到苯环的保护，免受全氟丁基链的吸电子作用。使用缺少酮基的增溶剂的实验表明，III与苯酚的pi-pi键相互作用不会显着提高溶解度。对于一系列苯酚衍生物，由计算的缔合常数反映的III的溶解度增加幅度与苯酚的Hammett sigma参数之间存在等级相关性。因为O-甲基取代的苯酚不具有氢键的能力，所以III的存在不会增加它们的溶解性。本研究的结果表明，通过存在碳氟化合物可溶的氢键受体，可以提高模型药
• METHODS AND COMPOSITIONS FOR CONTROLLED AND SUSTAINED PRODUCTION AND DELIVERY OF PEROXIDES
  申请人：Virginia Commonwealth University

  公开号：EP2024287A1

  公开（公告）日：2009-02-18
• Methods and Compositions for Controlled and Sustained Production and Delivery of Peroxides and/or Oxygen for Biological and Industrial Applications
  申请人：Ward Kevin

  公开号：US20090169630A1

  公开（公告）日：2009-07-02

  Methods and compositions for the controlled and sustained release of peroxides or oxygen to aqueous environments (e.g. a patient's body or circulatory system, or for other applications) or non-aqueous environments, include a material coating or encapsulating hydrogen peroxide, inorganic peroxides or peroxide adducts. In the case of peroxide adducts, and particularly in one type of embodiment, the peroxide adducts should be able to permeate the material, but water, hydrogen peroxide and inorganic peroxides should be able to permeate the material. The methods and compositions that allow the release of oxygen, H 2 O 2 or inorganic peroxides from peroxide adducts with movement of these moieties across a selectively permeable barrier into, preferably, an aqueous environment. In the case of hydrogen peroxide, it can be acted upon by catalase or other enzymes, or be simply degraded, or are otherwise acted upon by enzymes or catalysts embedded in the selectively permeable barrier to produce, for example, O 2 . Alternatively, hydrogen peroxide or inorganic peroxides can be delivered selectively to a site of action of cleaning, disinfecting or other applications.
• [EN] METHODS AND COMPOSITIONS FOR CONTROLLED AND SUSTAINED PRODUCTION AND DELIVERY OF PEROXIDES<br/>[FR] PROCÉDÉS ET COMPOSITIONS POUR UNE PRODUCTION ET UNE DISTRIBUTION CONTRÔLÉES ET ENTRETENUES DE PEROXYDES
  申请人：UNIV VIRGINIA COMMONWEALTH

  公开号：WO2007134304A1

  公开（公告）日：2007-11-22

  [EN] Methods and compositions for the controlled and sustained release of peroxides or oxygen to aqueous environments (e.g. a patient's body or circulatory system, or for other applications) or non-aqueous environments, include a material coating or encapsulating hydrogen peroxide, inorganic peroxides or peroxide adducts. In the case of peroxide adducts, and particularly in one type of embodiment, the peroxide adducts should be able to permeate the material, but water, hydrogen peroxide and inorganic peroxides should be able to permeate the material. The methods and compositions that allow the release of oxygen, H₂O₂ or inorganic peroxides from peroxide adducts with movement of these moieties across a selectively permeable barrier into, preferably, an aqueous environment. In the case of hydrogen peroxide, it can be acted upon by catalase or other enzymes, or be simply degraded, or are otherwise acted upon by enzymes or catalysts embedded in the selectively permeable barrier to produce, for example, O₂. Alternatively, hydrogen peroxide or inorganic peroxides can be delivered selectively to a site of action of cleaning, disinfecting or other applications.
  [FR] L'invention concerne des procédés et des compositions permettant la libération contrôlée et entretenue de peroxydes ou d'oxygène dans des environnements aqueux (par exemple, le corps, le système circulatoire d'un patient, ou d'autres applications) ou dans des environnements non aqueux, comprennent un matériau enrobant ou encapsulant du peroxyde d'oxygène et des peroxydes inorganiques ou des produits d'addition de peroxydes. Dans le cas de produits d'addition de peroxydes, et en particulier dans un type de mode de réalisation, les produits d'addition de peroxyde ne devraient pas pouvoir passer à travers le matériau, mais l'eau, le peroxyde d'oxygène et les peroxydes inorganiques devraient pouvoir passer à travers le matériau. Les procédés et les compositions permettent la libération d'oxygène, H₂O₂ ou de peroxydes inorganiques à partir de produits d'addition de peroxyde par mouvement de ces fractions à travers une barrière sélectivement perméable, de préférence dans un environnement aqueux. Dans le cas du peroxyde d'hydrogène, ils peuvent être soumis à l'action de la catalase ou d'autres enzymes, simplement dégradés, ou encore soumis à l'action des enzymes ou des catalyseurs noyés dans la barrière sélectivement perméable pour produire, par exemple, de l'O₂. En variante, le peroxyde d'hydrogène ou les peroxydes inorganiques peuvent être administrés sélectivement à un site d'action de nettoyage, de désinfection ou à d'autres applications.