4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol | 179632-68-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol
• 英文别名: 4-(2-hydroxy-1,1,1-trifluoro-2-propyl)phenol
• CAS: 179632-68-9
• 化学式: C₉H₉F₃O₂
• mdl: MFCD16068012
• 分子量: 206.164
• InChiKey: WNKAWMMGLNHYRT-UHFFFAOYSA-N

物化性质

• 沸点：
  298.4±40.0 °C(Predicted)
• 密度：
  1.356±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol 在 铑 作用下， 以 异丙醇 、 盐酸 为溶剂， 50.0 ℃ 、1999.83 MPa 条件下， 生成 4-(2-hydroxy-1,1,1-trifluoro-2-propyl)cyclohexanol
  参考文献：
  名称：

  Substituted cycloalkylamino and cycloalkoxy heterocycles, processes for

  摘要：

  本发明涉及(I) ##STR1## 其中R.sup.1至R.sup.5，A，X，E，U，p和n如权利要求1所定义，以及它们的制备过程和它们作为杀虫剂，螨虫剂和杀菌剂等农药的用途。

  公开号：

  US05889012A1
• 作为产物：
  描述：

  4-(2-hydroxy-1,1,1-trifluoro-2-propyl)phenol benzyl ether 以 钯 、 溶剂黄146 为溶剂， 生成 4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol
  参考文献：
  名称：

  Substituted cycloalkylamino and cycloalkoxy heterocycles, processes for

  摘要：

  取代的环烷胺和环烷氧杂环化合物，其制备方法及其用作杀虫剂。该发明涉及（I）##STR1##其中R.sup.1至R.sup.5，A，X，E，U，p和n的定义如权利要求书中所述，以及它们的制备方法和用途，例如杀虫剂、杀螨剂和杀菌剂。

  公开号：

  US05889012A1

文献信息

• ¹⁹F Nuclear Magnetic Resonance Spectroscopy for the Quantitative Detection and Classification of Carbonyl Groups in Lignins
  作者：Behzad C. Ahvazi、Claudia Crestini、Dimitris S. Argyropoulos

  DOI：10.1021/jf980431p

  日期：1999.1.1

  carbonyl groups present in lignins were also investigated by trifluoromethylating them in the presence of catalytic amounts of tetramethylammonium fluoride (TMAF), followed by hydrolysis with TMAF in tetrahydrofuran. By using a variety of selective reactions, it became possible to assign a number of prominent (19)F NMR signals to a variety of carbonyl groups present in lignins. These studies demonstrated

  已经开发出一种允许定量检测和分类木质素中各种羰基的新方法。通过对一系列含羰基的木质素样模型化合物进行定量三氟甲基化，对提出的方法进行了优化。此工作之后是所得氟衍生物的（19）F NMR光谱分析，可全面了解其结构/（19）F化学位移关系。还通过在催化量的氟化四甲基铵（TMAF）存在下对它们进行三氟甲基化来研究木质素中存在的各种羰基，然后在四氢呋喃中用TMAF进行水解。通过使用各种选择性反应，有可能将许多突出的（19）F NMR信号分配给木质素中存在的各种羰基。
• Quantitative trifluoromethylation of carbonyl-containing lignin model compounds
  作者：B.C. Ahvazi、D.S. Argyropoulos

  DOI：10.1016/0022-1139(96)03431-8

  日期：1996.6

  lignin model compounds was made possible by using Ruppert' s reagent in the presence of tetramethylammonium fluoride (TMAF), followed by hydrolysis with aqueous HF. These studies demonstrate that such a method can quantitatively convert carbonyl groups to the CF3-containing compounds, thus qualifying the procedure as a potential analytical tool for the determination of carbonyl groups in lignins.

  通过在四甲基氟化铵（TMAF）存在下使用Ruppert试剂，然后用HF水溶液水解，可以使一系列含羰基的木质素模型化合物有效地三氟甲基化。这些研究表明，这种方法可以将羰基定量转化为含CF 3的化合物，从而使该方法成为测定木质素中羰基的潜在分析工具。
• Fluorine-Containing Compound, Fluorine-Containing Polymer Compound, Resist Composition, Top Coat Composition And Pattern Formation Method
  申请人：Mori Kazunori

  公开号：US20120077126A1

  公开（公告）日：2012-03-29

  A fluorine-containing polymer of the present invention contains a repeating unit (a) of the general formula (2) and has a mass-average molecular weight of 1,000 to 1,000,000. This polymer is suitably used in a resist composition for pattern formation by high energy ray radiation of 300 nm or less wavelength or electron beam radiation or a top coat composition for liquid immersion lithography and is characterized as having high water repellency, notably high receding contact angle. In the formula, R 1 represents a polymerizable double bond-containing group; R 2 represents a fluorine atom or a fluorine-containing alkyl group; R 8 represents a substituted or unsubstituted alkyl group or the like; and W 1 represents a single bond, a substituted or unsubstituted methylene group or the like.

  本发明的含氟聚合物包含通式（2）的重复单元（a），其具有1,000至1,000,000的质量平均分子量。该聚合物适用于抗高能辐射（波长小于或等于300nm的高能射线辐射或电子束辐射）的光阻组合物，或用于液体浸没光刻的面涂层组合物，并具有高水珠性，尤其是高后退接触角。在公式中，R1表示可聚合的双键含有的基团；R2表示氟原子或含氟烷基；R8表示取代或未取代的烷基或类似物；W1表示单键，取代或未取代的亚甲基或类似物。
• [DE] SUBSTITUIERTE CYCLOALKYLAMINO- UND -ALKOXY-HETEROCYCLEN, VERFAHREN ZU IHRER HERSTELLUNG UND IHRE VERWENDUNG ALS SCHÄDLINGSBEKÄMPFUNGSMITTEL<br/>[EN] SUBSTITUTED CYCLOALKYLAMINO AND CYCLOALKOXY HETEROCYCLES, PROCESS FOR PREPARING THE SAME AND THEIR USE AS PESTICIDES<br/>[FR] HETEROCYCLES CYCLOALKYLAMINES ET CYCLOALCOXY, LEUR PROCEDE DE PREPARATION ET LEUR UTILISATION COMME PESTICIDES
  申请人：HOECHST SCHERING AGREVO GMBH

  公开号：WO1996011913A1

  公开（公告）日：1996-04-25

  (DE) Die Erfindung betrifft Verbindungen (I), worin R1 bis R5, A, X, E, U, p und n wie in Anspruch 1 definiert sind, sowie Verfahren zu deren Herstellung und deren Anwendung als Schädlingsbekämpfungsmittel wie Insektizide, Akarizide, aber auch Fungizide.(EN) Compounds have formula (I), in which R1 to R5, A, X, E, U, p and n are defined as in the first claim. Also disclosed are a process for preparing the same and their use as pesticides such as insecticides, acaricides and even fungicides.(FR) L'invention concerne des composés répondant à la formule (I), dans laquelle les groupes R1 à R5, A, X, E, U, p et n ont la définition donnée dans la première revendication, leur procédé de préparation et leur utilisation comme pesticides tels qu'insecticides, acaricides et même fongicides.

  该发明涉及化合物(I)，其中R1至R5、A、X、E、U、p和n的定义与附图1相同，同时披露了制备上述化合物的方法及其作为农药（如杀虫剂、寄生虫杀虫剂，甚至是真菌抑制剂）的用途。
• ¹⁹F Nuclear Magnetic Resonance Spectroscopy for the Elucidation of Carbonyl Groups in Lignins. 1. Model Compounds
  作者：Behzad C. Ahvazi、Dimitris S. Argyropoulos

  DOI：10.1021/jf960154r

  日期：1996.1.1

  A new method for the detection of different classes of carbonyl groups in a series of carbonyl-containing lignin-like model compounds has been developed. The method is based on the selective fluoride-induced trifluoromethylation of carbonyl groups with (trifluoromethyl)trimethylsilane (TMS-CF3) in the presence of tetramethylammonium fluoride (TMAF), followed by hydrolysis with aqueous HF or TMAF in the case of quinones. In this study a series of ketones, aldehydes, quinones, and dimeric-lignin model compounds were quantitatively trifluoromethylated followed by F-19 NMR spectral analyses of the resulting fluorine-containing derivatives, allowing for a thorough understanding of their structure/F-19 chemical shift relationships. These studies have shown that the F-19-NMR chemical shifts of the trifluoromethyl groups vary significantly and consistently for various classes of carbonyl groups which may be present in complex lignocellulosic materials. These studies are to form the basis for the development of a novel and sensitive method that can be used to obtain quantitative information on the various carbonyl groups present in such materials.