difluoromethylpentafluorobenzene | 22006-44-6

• 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: difluoromethylpentafluorobenzene
• 英文别名: Pentafluorbenzalfluorid；1-(Difluoromethyl)-2,3,4,5,6-pentafluorobenzene
• CAS: 22006-44-6
• 化学式: C₇HF₇
• 分子量: 218.074
• InChiKey: AJNDNWYVKZRHBE-UHFFFAOYSA-N

物化性质

• 沸点：
  122-124 °C
• 密度：
  1.575±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  7

安全信息

• 海关编码：
  2903999090

反应信息

• 作为反应物：
  描述：

  difluoromethylpentafluorobenzene 在 氢氟酸 、 五氟化锑 、 盐酸 作用下， 反应 24.0h， 生成 五氟苯甲醛
  参考文献：
  名称：

  Oxygen replacement by fluorine in carbonyl derivatives of perfluoroaromatic compounds and isomerization of perfluoroindan-1,3-dione to perfluoro-3-methylenephthalide under the action of HF/SbF5

  摘要：

  When acted upon by HF/SbF5 at 95 degrees C, carbonyl groups of perfluorinated acetophenone (10), 3,4-dihydronaphthalen-1(2H)-one (8), 2,3-dihydronaphthalene-1,4-dione (9), benzocyclobutenone (6), benzocyclobutenedione (7) and indan-l-one (1) are converted into difluoromethylene groups to give the corresponding perfluoroaromatic products. Perfluoroindan-2-one (5), under the same conditions, is transformed to bis(perfluoroindan-2-yl) ether (21). On heating with HF/SbF5, perfluoroindan-1,3-dione (2) isomerizes into perfluoro-3-methylenephthalide (4) at 95 degrees C, and gives 4,5,6,7-tetrafluoro-3-trifluoromethyl-phthalide (14) at 130 degrees C. Compound 4 in the absence of a solvent dimerizes giving perfluorodispiro[phthalide-3,1 '-cyclobutane-2 ',3 ''-phthalide] (18), and when heated with SbF5 at 130 degrees C, it is converted into perfluoro-3-methylphthalide (3). When acted upon by HF/SbF5 at 95 degrees C, perfluorinated benzoic acid (12) and phthalic anhydride (13) give the corresponding products with trifluoromethyl groups. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2006.08.006
• 作为产物：
  描述：

  1-[溴(二氟)甲基]-2,3,4,5,6-五氟苯 在 盐酸 、 镉 作用下， 生成 difluoromethylpentafluorobenzene
  参考文献：
  名称：

  全氟苄基镉和铜试剂的制备，稳定性和反应性

  摘要：

  在室温下，全氟苄基溴容易与酸洗过的镉粉末在DMF中反应，生成F-苄基镉试剂。所述的复分解˚F -benzylcadmium试剂与铜（I）溴在-40℃至-35℃的DMF，得到˚F -benzylcopper试剂。通过反应混合物的19 F NMR光谱分析和化学转化证实了F-苄基镉和-铜试剂的形成。

  DOI：

  10.1016/0022-1139(93)02919-6

文献信息

• Bridged metallocene catalysts with a pendant group 13 element, catalyst systems containing same, processes for making a polymer product using same, and products made from same
  申请人：ExxonMobil Chemical Patents Inc.

  公开号：US10851187B2

  公开（公告）日：2020-12-01

  A metallocene catalyst compound can comprise a structure represented by formula (F-MC) below comprising a first cyclopentadienyl ring with carbon atoms directly connected with R1, R2, R4, and R5, and a second cyclopentadienyl ring with carbon atoms directly connected with R10, R11, R12, and R13, and a bridging group (BG) directly connecting the first and second cyclopentadienyl rings A catalyst system can include the metallocene compound, a non-coordinating anion type activator comprising a supported alumoxane or aluminum alkyl, and optionally a scavenger. A process for making a polymeric product can comprise: contacting a C2-C22 alpha-olefin feed with the catalyst system to obtain a polymerization reaction mixture; and obtaining a polymer product from the polymerization reaction mixture. A polymer product can be made by the process to exhibit at least an Mn from 7000 g/mol to 70000 g/mol and a PDI from 4.1 to 9.0.

  一种茂金属催化剂化合物可以包括以下由下式（F-MC）表示的结构，其中包括第一个环戊二烯基环，其碳原子直接连接到R1、R2、R4和R5，以及第二个环戊二烯基环，其碳原子直接连接到R10、R11、R12和R13，以及直接连接第一个和第二个环戊二烯基环的桥接基团（BG）。 催化剂体系可以包括茂金属化合物，一种非配位阴离子型活化剂，包括支撑的氧化铝烷氧化物或铝烷基，以及可选的清除剂。制备聚合物产品的方法可以包括：将C2-C22α-烯烃原料与催化剂体系接触，以获得聚合反应混合物；并从聚合反应混合物中获得聚合物产品。通过该方法可以制备聚合物产品，其至少具有从7000克/摩尔到70000克/摩尔的Mn和从4.1到9.0的PDI。
• Process for production of amines
  申请人：Terada Masahiro

  公开号：US20070142639A1

  公开（公告）日：2007-06-21

  A process for producing an amine which is characterized by reacting an imine with a nucleophilic compound (except a trialkylsilyl vinyl ether) in the presence of a phosphoric acid derivative represented by the formula (1): wherein A 1 represents a spacer; X 1 and X 2 represent each independently a divalent nonmetal atom or a divalent nonmetal atomic group; and Y 1 is oxygen or sulfur. The invention provides a process by which amines (particularly optically active amines) useful as intermediates of medicines, agricultural chemicals, or the like can be produced without special post-treatment in high yield at high optical purity; and phosphoric acid derivatives (particularly optically active phosphoric acid derivatives) useful in the production of the amines.

  一种生产胺的方法，其特征在于在式（1）所代表的磷酸衍生物存在下，将亚胺与一种亲核化合物（三烷基硅基乙烯醚除外）反应： 其中A1代表一个间隔物；X1和X2分别独立表示二价非金属原子或二价非金属原子团；Y1为氧或硫。该发明提供了一种方法，通过该方法，可以在高光学纯度下高产率地生产用作药品、农药等中间体的胺（特别是光学活性胺），而无需进行特殊的后处理；以及用于生产这些胺的磷酸衍生物（特别是光学活性磷酸衍生物）。
• [EN] INHIBITORS OF PURINE NUCLEOSIDE PHOSPHORYLASE - SYNTHESIS AND USE THEREOF FOR TREATMENT OF T-CELL ACUTE LYMPHOBLASTIC LEUKEMIA AND LYMPHOMA<br/>[FR] INHIBITEURS DE LA SYNTHÈSE DE LA PURINE NUCLÉOSIDE PHOSPHORYLASE ET LEUR UTILISATION POUR LE TRAITEMENT DE LA LEUCÉMIE LYMPHOBLASTIQUE AIGUË À LYMPHOCYTES T ET DU LYMPHOME
  申请人：USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I

  公开号：WO2021083438A1

  公开（公告）日：2021-05-06

  The present invention relates to new compounds of general formula I, their synthesis, their pharmaceutically acceptable salts, and their use in treatment of T-cell acute lymphoblastic leukemia and lymphoma.

  本发明涉及一般式I的新化合物，它们的合成，它们的药学上可接受的盐，以及它们在T细胞急性淋巴细胞白血病和淋巴瘤治疗中的用途。
• Hydrogen Bond Directed Photocatalytic Hydrodefluorination and Methods of Use Thereof
  申请人：The Board of Regents for Oklahoma State University

  公开号：US20200399196A1

  公开（公告）日：2020-12-24

  Methods of synthesizing compounds comprising fluorinated aryl groups are disclosed, wherein said methods utilize hydrogen bond directed photocatalytic hydrodefluorination.

  揭示了合成含氟芳基化合物的方法，其中所述方法利用氢键定向的光催化脱氟化反应。
• Mechanisms of reactions of halogenated compounds
  作者：Richard D. Chambers、Peter A. Martin、Graham Sandford、D. Lyn H. Williams

  DOI：10.1016/j.jfluchem.2008.04.009

  日期：2008.10

  The effect of fluorine as a substituent group on nucleophilic aromatic substitution is discussed, where a fluorine atom located ortho to the point of substitution may be of variable activating influence, whereas fluorine located para is slightly deactivating and meta is activating. A rationale of these effects is presented and evidence to support polar influences by ortho fluorine is advanced. The

  讨论了氟作为取代基对亲核芳族取代的影响，其中位于邻位的氟原子可能具有可变的激活影响，而位于对位的氟则略微失活，而间位则被激活。提出了这些效应的原理，并提出了支持邻氟对极性影响的证据。CN，CF 3，CF 2 H和CFH 2的影响也可以通过比较合适的测得的速率常数并与环氮的活化作用来确定。