2-氟-2,3-二甲基丁烷 | 354-09-6

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 中文名称: 2-氟-2,3-二甲基丁烷
• 英文名称: 2,3-dimethyl-2-butyl fluoride
• 英文别名: 2-fluoro-2,3-dimethylbutane；2-fluoro-2,3-dimethyl-butane；2,3-dimethyl-2-fluorobutane；2-Fluor-2,3-dimethyl-butan；2-Fluor-2,3-dimethylbutan；2-Fluor-2,3-dimethylbuten；Butane, 2-fluoro-2,3-dimethyl-
• CAS: 354-09-6
• 化学式: C₆H₁₃F
• 分子量: 104.168
• InChiKey: VWQAPIJXLQYLHA-UHFFFAOYSA-N

物化性质

• 熔点：
  -103.67°C (estimate)
• 沸点：
  87.88°C (estimate)
• 密度：
  0.8125 (estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  7
• 可旋转键数：
  1
• 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：
  1

反应信息

• 作为反应物：
  描述：

  2-氟-2,3-二甲基丁烷 、 五氟化锑 以 一氟三氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Crystal structure of the tert-butyl cation

  摘要：

  The structure of the tert-butyl cation (1) could be determined by an X-ray crystal structure analysis of its Sb2F11- salt at -80-degrees-C (P2(1), a = 6.123(2) angstrom, b = 13.758(4) angstrom, c = 7.614(4) angstrom, beta = 100.67(3)degrees; R = 0.029, R(w) = 0.029). Suitable crystals of 1.Sb2F11 were obtained only from a methylene chloride solution of the corresponding tert-pentyl salt by slow decomposition. The cation is planar within our limits of accuracy, the C+-C bonds have an average length of 1.442(5) angstrom, and the C-C+-C bond angles are 120(1)degrees. These results agree with the nutation NMR results of Yannoni, Myhre, et al. and recent ab initio results of Schleyer et al. In the crystal, the cation is surrounded by fluorine atoms from a total of eight counterions. The packing motif of cations and anions is similar to that of CsCl. Several other simple tertiary alkyl salts gave no suitable crystals for an X-ray structure determination.

  DOI：

  10.1021/ja00069a023
• 作为产物：
  描述：

  2,3-二甲基-2-丁烯 在 poly-4-vinylpyridinium poly(hydrogen fluoride) (40/60) 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 以72%的产率得到2-氟-2,3-二甲基丁烷
  参考文献：
  名称：

  Poly-4-vinylpyridinium Poly(Hydrogen Fluoride): A Solid Hydrogen Fluoride Equivalent Reagent

  摘要：

  聚-4-乙烯基吡啶聚（氟化氢）（PVPHF）是一种固态氟化氢等效试剂，含有35-60%的氟化氢（按重量计）。发现含有60%氟化氢的PVPHF是一种多功能的氟化试剂，可用于烯烃和炔烃的氟化氢化及溴氟化，醇的氟化以及其他氟化反应。低氟化氢含量的PVPHF（4-乙烯基吡啶单元1当量对应3当量氟化氢）在存在1,3-二溴-5,5-二甲基海因的情况下也被发现是一种有效的烯烃溴氟化试剂。氟磺酸修饰的PVPHF在第二醇氟化反应中显示出增强的反应活性。

  DOI：

  10.1055/s-1993-25924

文献信息

• Stable Dialkyl Ether/Poly(Hydrogen Fluoride) Complexes:  Dimethyl Ether/Poly(Hydrogen Fluoride), A New, Convenient, and Effective Fluorinating Agent¹^a
  作者：Imre Bucsi、Béla Török、Alfonso Iza Marco、Golam Rasul、G. K. Surya Prakash、George A. Olah

  DOI：10.1021/ja0124109

  日期：2002.7.1

  characterization as well as with DFT-based theoretical calculations of stable dialkyl ether/poly(hydrogen fluoride) complexes are reported. Dimethyl ether/poly(hydrogen fluoride) (DMEPHF), are stable complexes of particular interest and use. The DFT calculations, that are in agreement with NMR data, suggest a cyclic poly(hydrogen fluoride) bridged structure for DMEPHF. The complex, DME-5 HF was found to be a convenient

  报道了稳定二烷基醚/聚（氟化氢）配合物的制备、1H、13C 和 19F NMR 结构表征以及基于 DFT 的理论计算。二甲醚/聚（氟化氢）（DMEPHF）是特别感兴趣和使用的稳定复合物。DFT 计算与 NMR 数据一致，表明 DMEPHF 具有环状聚（氟化氢）桥接结构。发现复合物 DME-5 HF 是一种方便有效的新型氟化剂，易于处理，可应用于多种氟化反应，例如烯烃的氢氟化和溴氟化，以及醇的氟化，收率高，收率高选择性。同源二烷基醚/聚(氟化氢) (R2O/[HF]n,, R = Et,
• Process for producing fluoro-compounds
  申请人：Kondo Norihisa

  公开号：US20090030228A1

  公开（公告）日：2009-01-29

  The present invention provides a process for producing highly pure fluoro-compounds by making use of less costly and readily handleable N-(2-chloro-1,1,2-trifluoroethyl)diethylamine. The process produces little or no chlorinated by-products. Specifically the present invention provides a process for producing a fluoro-compound, comprising fluorinating an alcohol derivative represented by the following general formula (1): R 1 R 2 R 3 COH  (1) (wherein R 1 represents a hydrogen atom, a substituted or unsubstituted alkyl group, aryl group, alkylcarbonyl group, alkoxycarbonyl group, arylcarbonyl group or aryloxycarbonyl group; and R 2 and R 3 are each independently a substituted or unsubstituted alkyl group, aryl group, alkylcarbonyl group, alkoxycarbonyl group, arylcarbonyl group or aryloxycarbonyl group, wherein at least two of R 1 , R 2 and R 3 may together form part of a ring structure, either with or without a heteroatom) with N,N-diethyl-2-chloro-1,1,2-trifluoroethylamine to form a fluoro-compound represented by the following general formula (2): R 1 R 2 R 3 CF  (2) (wherein R 1 , R 2 and R 3 are as defined above), the process being characterized in that an alcohol derivative represented by the following general formula (3): R 4 OH  (3) (wherein R 4 represents a substituted or unsubstituted alkyl group or aryl group) is added to the reaction system.

  本发明提供了一种利用成本较低且易于处理的N-(2-氯-1,1,2-三氟乙基)二乙胺生产高纯度氟化合物的方法。该方法几乎不产生氯化副产物。具体而言，本发明提供了一种生产氟化合物的方法，包括将由下述通式(1)表示的醇衍生物进行氟化：R1R2R3COH (其中R1代表氢原子、取代或未取代的烷基、芳基、烷基羰基、烷氧羰基、芳基羰基或芳氧羰基；R2和R3分别独立地代表取代或未取代的烷基、芳基、烷基羰基、烷氧羰基、芳基羰基或芳氧羰基，其中R1、R2和R3中的至少两个可以共同形成环结构，带有或不带有杂原子)与N,N-二乙基-2-氯-1,1,2-三氟乙基胺反应，形成由下述通式(2)表示的氟化合物：R1R2R3CF (其中R1、R2和R3如上所定义)，其特征在于向反应体系中加入由下述通式(3)表示的醇衍生物：R4OH (其中R4代表取代或未取代的烷基或芳基)。
• Hydrofluorination of unsaturated compounds with solid potassium hydrogen fluoride in the presence of silicon tetrafluoride at room temperature
  作者：Masanori Tamura、Motonari Shibakami、Shigeru Kurosawa、Takashi Arimura、Akira Sekiya

  DOI：10.1039/c39950001891

  日期：——

  Hydrofluorination of unsaturated compounds proceeds by reaction with solid potassium hydrogen fluoride and silicon tetrafluoride to afford the corresponding fluorides in high yields.

  通过与固体氟化氢钾和四氟化硅反应进行不饱和化合物的氢氟化，以高收率得到相应的氟化物。
• PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS
  申请人：Mantoulidis Andreas

  公开号：US20120094975A1

  公开（公告）日：2012-04-19

  The present invention encompasses compounds of general formula (1) wherein the groups R 1 to R 4 , X 1 , X 1 , X 3 , L 1 and L 2 are defined as in claim 1 , which are suitable for the treatment of diseases characterised by excessive or anomalous cell pro-liferation, and the use thereof in such a treatment.

  本发明涵盖了一般式（1）中的化合物，其中基团R1至R4、X1、X1、X3、L1和L2如权利要求1中定义的那样，适用于治疗以细胞过度或异常增殖为特征的疾病，并且在此类治疗中的使用。
• ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES
  申请人：Universal Display Corporation

  公开号：US20210111354A1

  公开（公告）日：2021-04-15

  Provided is a compound of Formula Ir(L A )(L B )(L C ), wherein L A is a ligand of L B is a ligand of and L C is a ligand of wherein a structure of is fused to the ligand L B of Formula II through two adjacent C of X 1 -X 4 .

  提供的是一个化合物的化学式 Ir(LA)(LB)(LC)，其中 LA 是 LB 的配体，LB 是 LC 的配体，LC 是的配体，其中的结构通过 X1-X4 的两个相邻C与化合物的配体 LB 的化学式 II 融合在一起。