1,2,3,4,5-pentafluoro-6-(4-methylbenzyl)benzene | 1225031-08-2

• 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: 1,2,3,4,5-pentafluoro-6-(4-methylbenzyl)benzene
• 英文别名: 1,2,3,4,5-Pentafluoro-6-[(4-methylphenyl)methyl]benzene
• CAS: 1225031-08-2
• 化学式: C₁₄H₉F₅
• 分子量: 272.217
• InChiKey: VGMHWNHWIZRYDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  对甲基苯甲醛 在 [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 hydrazine hydrate 、 1,3-双(二苯基膦)丙烷 、 potassium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 25.0h， 生成 1,2,3,4,5-pentafluoro-6-(4-methylbenzyl)benzene
  参考文献：
  名称：

  通过活化 CF键，将多氟芳烃与nes类进行Umpolung交叉偶联†

  摘要：

  提出了一种将多氟芳烃与各种取代的azo酮交叉偶联以构建C（sp 2）–C（sp 3）键的umpolung策略。在这种策略下，多氟芳烃的C–F键在温和的条件下被裂解并与湿气和空气稳定的hydr偶联，并具有良好或优异的收率。该方法为合成多氟化药物和功能材料提供了有用的工具。

  DOI：

  10.1039/c9cc04299g

文献信息

• Diarylmethane synthesis through Re₂O₇-catalyzed bimolecular dehydrative Friedel–Crafts reactions
  作者：Qi Qin、Youwei Xie、Paul E. Floreancig

  DOI：10.1039/c8sc03570a

  日期：——

  describes the application of Re2O7 to the syntheses of diarylmethanes from benzylic alcohols through solvolysis followed by Friedel–Crafts alkylation. The reactions are characterized by broad substrate scope, low catalyst loadings, high chemical yields, and minimal waste generation. The intermediate perrhenate esters are superior leaving groups to chlorides and bromides in these reactions. The polarity

  该手稿描述了 Re 2 O 7在通过溶剂分解和弗里德尔-克来福特烷基化从苯甲醇合成二芳基甲烷中的应用。该反应的特点是底物范围广、催化剂负载量低、化学产率高和废物产生最少。在这些反应中，中间体高铼酸酯是优于氯化物和溴化物的离去基团。六氟异丙醇的极性和水封存能力对于这些过程的成功至关重要。Re 2 O 7是 HOReO 3的预催化剂，可作为这些反应的成本较低且易于处理的促进剂。氧铼催化剂在类似取代的乙酸酯存在下选择性地活化醇，这表明与布朗斯台德酸催化相比具有独特的化学选择性和机制。
• Palladium-catalysed deaminative/decarboxylative cross-coupling of organoammonium salts with carboxylic acids
  作者：Kuan Liu、Dexiang Ding、Weitao Xing、Long Liu、Shuo Zhang、Qi Meng、Tieqiao Chen

  DOI：10.1039/d2ob02251f

  日期：——

  carbon–carbon bond-forming reaction via deaminative/decarboxylative cross-coupling of organoammonium salts with carboxylic acids was developed. Under the reaction conditions, polyfluoroaromatic carboxylic acids, propiolic acids and α-cyano benzyl carboxylic acid reacted smoothly with benzyl ammonium salts to produce the corresponding carbon–carbon coupling products in good-to-excellent yields.

  通过有机铵盐与羧酸的脱氨/脱羧交叉偶联，开发了钯催化的碳-碳键形成反应。在该反应条件下，多氟芳族羧酸、丙炔酸和α-氰基苄基羧酸与苄基铵盐顺利反应，以良好至优异的产率生成相应的碳-碳偶联产物。
• Organic electroluminescent materials and devices
  申请人：Universal Display Corporation

  公开号：US11024808B2

  公开（公告）日：2021-06-01

  Host materials with pentafluorophenyl substitution are described. These compounds are designed for, and used for hosting aza substituted dopants that may be susceptible to intramolecular deprotonation. In addition, the fluorinated substitution aids with electron transport within the emissive layer.

  本文介绍了具有五氟苯基取代作用的宿主材料。这些化合物专为可能易受分子内去质子化作用影响的氮杂取代掺杂物而设计，并用于承载这些掺杂物。此外，氟化取代有助于发射层内的电子传输。
• Benzothiazolin‐2‐ylidene and Azole Mixed‐Ligand Complexes of Palladium
  作者：Swee Kuan Yen、Lip Lin Koh、Han Vinh Huynh、T. S. Andy Hor

  DOI：10.1002/ejic.200900447

  日期：2009.10

  AbstractA series of mixed‐ligand, mononuclear complexes trans‐[PdX2(NSHC)(azole)] [NSHC = N,S‐heterocyclic carbene; azole = imidazole, 1‐(2,4,6‐trimethylphenyl)‐1H‐imidazole, benzimidazole, benzothiazole and benzoxazole] have been prepared and characterised by X‐ray single‐crystal diffraction. These complexes catalyse the sp2–sp3 cross‐coupling of fluoroaryl halides with arylboronic acid to give diarylmethanes with good yields and high turnovers. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
• Organic Electroluminescent Materials and Devices
  申请人：Universal Display Corporation

  公开号：US20210249608A1

  公开（公告）日：2021-08-12

  Host materials with pentafluorophenyl substitution are described. These compounds are designed for, and used for hosting aza substituted dopants that may be susceptible to intramolecular deprotonation. In addition, the fluorinated substitution aids with electron transport within the emissive layer.