1,1,1-trifluoro-2-trifluoromethyl-hexane | 23157-77-9

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 英文名称: 1,1,1-trifluoro-2-trifluoromethyl-hexane
• 英文别名: 1,1,1-Trifluor-2-(trifluormethyl)-hexan；1,1,1-Trifluoro-2-(trifluoromethyl)hexane
• CAS: 23157-77-9
• 化学式: C₇H₁₀F₆
• 分子量: 208.147
• InChiKey: OBEIOTXKPWLVRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3,3-双(三氟甲基)-3H-双吖丙啶 、 丁烷 反应 12.0h， 生成 1,1,1-trifluoro-2-trifluoromethyl-hexane
  参考文献：
  名称：

  Anomalous reactions of bis(trifluoromethyl)diazomethane and bis(trifluoromethyl)diazirine with saturated hydrocarbons

  摘要：

  DOI：

  10.1021/ja01026a044

文献信息

• ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES
  申请人：UNIVERSAL DISPLAY CORPORATION

  公开号：US20200361974A1

  公开（公告）日：2020-11-19

  Provided are a compound having a metal M and a first ligand L A comprising the structure of where the compound is capable of functioning as a phosphorescent emitter in an organic light emitting device at room temperature.

  提供了一种化合物，该化合物含有金属M和具有所述结构的第一个配体LA，该化合物能够在室温下作为有机发光器件中的磷光发射体发挥作用。
• Organic electroluminescent materials and devices
  申请人：UNIVERSAL DISPLAY CORPORATION

  公开号：US20200308204A1

  公开（公告）日：2020-10-01

  A compound comprising a first bidentate ligand L A , wherein L A comprises a structure of Formula I; wherein Z is selected from the group consisting of O, S, NR, BR, CR K R L , SiR K R L , —CR K R L CR M R N —, —SiR K R L SiR M R N —, —CR K R L O—, —SiR K R L O—, and —CR K ═CR L —; wherein ring A, ring B, and ring C are each independently a 5-membered carbocyclic ring, 5-membered heterocyclic ring, 6-membered carbocyclic ring or 6-membered heterocyclic ring; wherein L A is coordinated to a metal M forming a 5-membered chelate ring; wherein M is selected from the group consisting of Ir, Pt, Pd, Ru, Rh, Os, Re, Cu, Ag, and Au; wherein R A , R B , and R C each represent mono to the maximum allowable substitution, or no substitution; wherein each R, R K , R L , R M , R N , R A , R B , and R C is independently a hydrogen or a substituent selected from the group consisting of deuterium, halogen, alkyl, cycloalkyl, heteroalkyl, heterocycloalkyl, arylalkyl, alkoxy, aryloxy, amino, silyl, boryl, alkenyl, cycloalkenyl, heteroalkenyl, alkynyl, aryl, heteroaryl, acyl, carboxylic acid, ether, ester, nitrile, isonitrile, sulfanyl, sulfinyl, sulfonyl, phosphino, and combinations thereof; wherein M is optionally coordinated to one or more other ligands; wherein any two substituents are optionally joined or fused together to form a ring; and with the provision that L A does not comprise the following structure:

  一种化合物，包括第一双齿配体LA，其中LA包括结构式I的结构；其中Z选择自O、S、NR、BR、CRKRL、SiRKRL、—CRKRLCRMRN—、—SiRKRLSiRMRN—、—CRKRLO—、—SiRKRLO—和—CRK═CRL—组成的群体；其中环A、环B和环C分别独立为5元碳环、5元杂环、6元碳环或6元杂环；其中LA配位于金属M形成5元螯合环；其中M选择自Ir、Pt、Pd、Ru、Rh、Os、Re、Cu、Ag和Au组成的群体；其中RA、RB和RC分别表示单取代至最大允许取代，或无取代；其中每个R、RK、RL、RM、RN、RA、RB和RC独立地是氢或从氘、卤素、烷基、环烷基、杂原子烷基、芳基烷基、烷氧基、芳氧基、氨基、硅基、硼基、烯基、环烯基、杂原子烯基、炔基、芳基、杂芳基、酰基、羧酸、醚、酯、腈、异腈、硫基、亚硫基、砜基、膦基等组成的取代基中选择；其中M可以选择与一个或多个其他配体配位；其中任意两个取代基可以选择连接或融合在一起形成环；并且提供LA不包括以下结构：
• Process for preparing fluorochemicals
  申请人：MINNESOTA MINING AND MANUFACTURING COMPANY

  公开号：EP0643155A2

  公开（公告）日：1995-03-15

  A process for preparing fluorochemical compounds, e.g., perfluoroalkanes, perfluoroethers, and perfluoroalkyl tertiary amines, comprises (a) forming a mixture comprising at least one fluorinatable, non-functional organic starting compound, e.g., propane, and at least one other compound which is present in an amount sufficient to enable the formation of a fluorochemical phase and which is selected from the group consisting of (i) perfluorochemical compounds, e.g., perfluorohexane, which boil at a higher temperature than either the fluorinatable, non-functional organic starting compound or the fluorochemical compound resulting from the subsequent fluorination of the fluorinatable, non-functional organic starting compound; and (ii) precursor compounds, e.g., hexane, which can be fluorinated in situ to produce such perfluorochemical compounds; and (b) subjecting the mixture to electrochemical fluorination in the presence of anhydrous hydrogen fluoride.

  一种制备氟化合物（如全氟烷烃、全氟醚和全氟烷基叔胺）的工艺包括 (a) 形成一种混合物，该混合物包括至少一种可氟化的非官能有机起始化合物（如丙 烷）和至少一种其它化合物，其含量足以形成氟化学相，该化合物选自以下组别： (b) 将至少一种可氟化的非官能有机起始化合物（如丙烷）和至少一种其它化合物（其 含量足以形成氟化学相，该化合物选自以下组别 (i) 全氟化合物，如全氟己烷，其沸腾温度高于可氟化的非功能性有机起始化合物或可氟化的非功能性有机起始化合物随后氟化产生的氟化合物；以及 (ii) 可就地氟化以生产此类全氟化合物的前体化合物，如正己烷；以及 (b) 在无水氟化氢存在下，对混合物进行电化学氟化。
• NAPHTHALOCYANINE COMPOUND AND METHOD FOR PRODUCING THE SAME
  申请人：Kimura Keizou

  公开号：US20100286407A1

  公开（公告）日：2010-11-11

  A naphthalocyanine compound of formula (I): wherein R 111 , R 121 , R 131 and R 141 represent a group of formula (II); R 112 , R 122 , R 132 and R 142 represent a substituent; M 1 represents two hydrogen atoms, two monovalent metal atoms, etc.; n112, n122, n132 and n142 are 0 to 4; R 211 represents H, an aliphatic group, etc.; R 212 and R 213 represent an aliphatic group, an aromatic group, etc.; L 211 represents a divalent group consisting of a carbon chain having at least 2 carbon atoms.
• METHOD OF DISCOVERING FLUORO-CONTAINING COMPOUNDS
  申请人：SHANXI CHEMICAL RESEARCH INSTITUTE CO., LTD.

  公开号：US20170283960A1

  公开（公告）日：2017-10-05

  The present teachings relate to a methods for drug discovery. In one particular example, the method includes providing a substrate, modifying the substrate by using an electrochemical fluorination, screening a reaction mixture of the electrochemical fluorination, and identifying a fluorinated compound in the reaction mixture.