2,6-bis(pentafluorophenyl)phenol | 1384116-62-4

• 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: 2,6-bis(pentafluorophenyl)phenol
• 英文别名: 2,6-Bis(2,3,4,5,6-pentafluorophenyl)phenol
• CAS: 1384116-62-4
• 化学式: C₁₈H₄F₁₀O
• 分子量: 426.213
• InChiKey: OTCSNGYANYPKAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  2,6-bis(pentafluorophenyl)phenol 在 ZnCl₂(1,4-dioxane) 作用下， 以 甲苯 、 正戊烷 为溶剂， 反应 15.5h， 生成 W(N-t-Bu)(C₃H₆)(pyrrolide)(O-2,6-(C₆F₅)₂C₆H₃)
  参考文献：
  名称：

  含叔丁基酰亚胺配体的钼和钨亚烷基配合物的合成

  摘要：

  A variety of molybdenum or tungsten complexes that contain a tert-butylimido ligand have been prepared. For example, the o-methoxybenzylidene complex W(N-t-Bu) ( CH-o-MeOC6H4) (C1)(2)(py) was prepared through addition of pyridinium chloride to W(N-t-Bu)(2)-(CH2-o-MeOC6H4)(2), while Mo(N-t-Bu)(CH-o-MeOC6H4)(ORF)(2)(tBuNI-12) complexes (ORF = 006F(3) or OC(CF3)(3)) were prepared through addition of two equivalents of RFOH to mo(N-t-Bu)(2)(CH2-o-MeOC6H4)(2). An X-ray crystallographic study of Mo(N-t-Bu)(CH-o-MeOC6H4)[0C(CF3)(3)]2(t-BuNH2) showed that the methoxy oxygen is bound to the metal and that two protons on the tert-butylamine ligand are only a short distance away from one of the CF3 groups on one of the perfluoro-tert-butoxide ligands (H center dot center dot center dot F = 2.456(17) and 2.467(17) A). Other synthesized tungsten tert-butylimido complexes include W(N-t-Bu) (CH-o-MeOC6H4)(pyr)(2)(2,21-bip-yridine) (pyr = pyrrolide), W(N-t-Bu) (CH-o-MeOC6H,t)(pyr)(OHMT) (OHMT = 0-2,6-(mesity1)(2)C6H3), W(N-t-Bu) (CH-t-Bu) (OH_MT)(C1)(py) (py = pyridine), W(N-t-Bu) (CH-t-Bu) (OHMT)(Cl), W(N-t-Bu) (CH-t-Bu)(PYr)(0DFT)(PY), W(N-t-Bu) (CH-t-Bu)(OHMT)(2), and W(N-t-Bu) (CH-t-Bu) (ODFT)(2) (ODFT = 0-2,6- (C6F5)(2)C6H3). Interestingly, W(N-t-Bu)(CH-t-Bu)(OHMT)(2) does not react with ethylene or 2,3-dicarbomethoxynorbomadiene. Removal of pyridine from W(N-t-Bu) (CH-t-Bu)(Biphencp3)(pyridine) (Biphencp3 = 3,3'di-tert-buty1-5,5'-bistrifluoromethy1-6,6'-dimethyl-1,1'-biphenyl-2,2'-diolate) with B(C6F5)(3) led to formation of a five-coordinate 14e neopentyl complex as a consequence of CH activation in one of the methyl groups in one tert-butyl group of the Biphenc F-3 ligand, as was proven in an X-ray study. An attempted synthesis of W(N-t-Bu) (CH-t-Bu)(Biphenme) (Biphenme = 3,3'-di-tertbuty1-5,5',6,6'-tetramethy1-1,1'-biphenyl-2,2'-diolate) led to formation of a 1:1 mixture of W(N-t-Bu)(CH-t-Bu)(Biphenme) and a neopentyl complex analogous to the one characterized through an X-ray study. The metallacyclobutane complexes W(N-t-Bu) (C3H6)(Pyrrolide)(0DFT) and W(N-t-Bu) (C3H6) (ODFT)(2) were prepared in reactions involving W(N-t-Bu)(CH-tBu)(pYr)(2)(biPY), ZnC12(dioxane), and one or two equivalents of DFTOH, respectively, under 1 atm of ethylene.

  DOI：

  10.1021/acs.organomet.5b00633
• 作为产物：
  描述：

  1,2,3,4,5-Pentafluoro-6-[2-methoxy-3-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以90%的产率得到2,6-bis(pentafluorophenyl)phenol
  参考文献：
  名称：

  TUNGSTEN OXO ALKYLIDENE COMPLEXES FOR Z SELECTIVE OLEFIN METATHESIS

  摘要：

  当前的申请描述了用于烯烃开环反应的钨氧烷基亚烯基配合物。

  公开号：

  US20130116434A1

文献信息

• [EN] MOLYBDENUM OXO ALKYLIDENE COMPOUNDS, METHODS OF MAKING THE SAME AND USE THEREOF IN METATHESIS REACTIONS<br/>[FR] COMPOSÉS OXO-ALKYLIDÈNE DE MOLYBDÈNE, LEURS PROCÉDÉS DE FABRICATION ET LEUR UTILISATION DANS DES RÉACTIONS DE MÉTATHÈSE
  申请人：MASSACHUSETTS INST TECHNOLOGY

  公开号：WO2019157376A1

  公开（公告）日：2019-08-15

  The invention relates to molybdenum oxo alkylidene complexes of formula (I) wherein R1, R2, R3, R4, R5 and n are defined in the description, methods of making same and use thereof in metathesis reactions.

  该发明涉及公式（I）中的钼氧烷基亚烯配合物，其中R1、R2、R3、R4、R5和n在描述中有定义，以及制备该配合物的方法以及在醚交换反应中的应用。
• Origin and Use of Hydroxyl Group Tolerance in Cationic Molybdenum Imido Alkylidene N‐Heterocyclic Carbene Catalysts
  作者：Roman Schowner、Iris Elser、Mathis Benedikter、Mohasin Momin、Wolfgang Frey、Tanja Schneck、Laura Stöhr、Michael R. Buchmeiser

  DOI：10.1002/anie.201913322

  日期：2020.1.7

  molybdenum imido alkylidene N-heterocyclic carbene (NHC) complexes has been investigated. A wide range of catalysts was prepared and tested. Most cationic complexes can be handled in air without difficulty and display an unprecedented stability towards water and alcohols. NHC complexes were successfully used with substrates containing the hydroxyl functionality in acyclic diene metathesis polymerization, homo-

  已经研究了中性，尤其是阳离子钼亚氨基亚烷基N-杂环卡宾（NHC）配合物中羟基耐受性的起源。制备并测试了多种催化剂。大多数阳离子络合物可以在空气中轻松处理，并且对水和醇显示出前所未有的稳定性。NHC配合物已成功地与包含羟基官能团的底物一起用于无环二烯复分解聚合，均相，交叉和开环交叉复分解反应中。该催化剂甚至在2-PrOH中也保持活性，并且适用于使用醇作为溶剂的开环复分解聚合和烯烃均复分解。使用弱碱性双齿
• [EN] METATHESIS CATALYSTS AND METHODS THEREOF<br/>[FR] CATALYSEURS DE MÉTATHÈSE ET PROCÉDÉS CORRESPONDANTS
  申请人：MASSACHUSETTS INST TECHNOLOGY

  公开号：WO2014169014A1

  公开（公告）日：2014-10-16

  The present application provides, among other things, novel compounds for metathesis reactions, and methods for preparing and using provided compounds. In some embodiments, the present invention provides compounds having the structure of formula I or II.

  本申请提供了用于交换反应的新化合物，以及制备和使用所提供化合物的方法。在某些实施方式中，本发明提供具有I或II式结构的化合物。
• Stereospecific Ring-Opening Metathesis Polymerization (ROMP) of <i>endo</i>-Dicyclopentadiene by Molybdenum and Tungsten Catalysts
  作者：Benjamin Autenrieth、Hyangsoo Jeong、William P. Forrest、Jonathan C. Axtell、Antje Ota、Thomas Lehr、Michael R. Buchmeiser、Richard R. Schrock

  DOI：10.1021/acs.macromol.5b00123

  日期：2015.4.28

  temperature. No isomerization or cross-linking reactions are observed, and addition of a chain transfer reagent (1-hexene) or the use of THF as a solvent does not decrease the stereospecificity of the polymerizations. Cis, syndiotactic and cis, isotactic poly(DCPD)s can be distinguished readily from each other by 13C NMR spectroscopy. Hydrogenation of each stereoregular poly(DCPD) produces H-poly(DCPD)s that

  我们报告的开环复分解聚合（ROMP）的检查内切10良好定义的基于钨钼基和亚烷基16引发剂的二环戊二烯（DCPD）。五种具有通式W（X）（CHCMe 2 Ph）（Me 2 Pyr）（OAr）的钨基MAP（单芳基吡咯化物）引发剂（X =芳基酰亚胺，烷基亚氨基或氧代; Me 2 Pyr = 2,5-二甲基吡咯化物；发现OAr =芳基氧化物）可产生> 98％的顺式，> 98％的间规聚（DCPD）；它们是W（N- t- Bu）（CHCMe 3）（pyr）（OHMT）（2，OHMT = O-2,6-（2,4,6-Me 3 C 6 H 2）2 C 6 H 3，pyr =吡咯化物），W（N-2,6- i -Pr 2 C 6 H 3）（CHCMe 2 Ph）（pyr）（OHMT）（3），W（O）（CHCMe 2 Ph）（Me 2 Pyr）（OHMT）（PPh 2 Me）（7，Me 2 Pyr = 2,5-二甲基吡咯化物），W（O）（CHCMe
• METATHESIS CATALYSTS AND METHODS THEREOF
  申请人：Massachusetts Institute of Technology

  公开号：US20140378637A1

  公开（公告）日：2014-12-25

  The present application provides, among other things, compounds and methods for metathesis reactions. In some embodiments, a provided compound has the structure of formula I, II or III. In some embodiments, R 1 of formula I, II or III comprises an electron-withdrawing group. In some embodiments, the present invention provides methods for preparing provided compounds.

  本申请提供了包括化合物和用于交换反应的方法在内的各种东西。在某些实施方式中，所提供的化合物具有公式I、II或III的结构。在某些实施方式中，公式I、II或III中的R1包含一个电子吸引基团。在某些实施方式中，本发明提供了制备所提供化合物的方法。