4-bromo 2,3,5,6-tetrafluoro phenyllithium | 173276-92-1

• 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: 4-bromo 2,3,5,6-tetrafluoro phenyllithium
• CAS: 173276-92-1
• 化学式: C₆BrF₄Li
• 分子量: 234.905
• InChiKey: ZVBWMMOFPOWOFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  4-bromo 2,3,5,6-tetrafluoro phenyllithium 以 乙醚 、 二氯甲烷 为溶剂， 反应 0.5h， 生成 [Au(p-C₆BrF₄)(1,2-bis(diphenylphosphino)benzene)]
  参考文献：
  名称：

  全卤苯基对二膦金(I)配合物TADF机理的影响

  摘要：

  使用螯合配体 1,2-双(二苯基膦基)苯 (dppBz) 和 [AuR(tht)] (R = C 6 F 5 ( 1 ), o -C 6 BrF 4的新型全卤苯基三配位金 ( I ) 配合物( 2 ), p -C 6 BrF 4 ( 3 ), o -C 6 F 4 I ( 4 ), p -C 6 F 4 I ( 5 ); tht = 四氢噻吩)。化合物1的晶体结构和图2由扭曲的三配位Au（I）配合物组成，在同一金原子上显示出不同的Au-P距离。配合物在室温 (RT) 和 77 K 下在固态下显示出强烈的光致发光发射。对发射寿命与温度的依赖性的研究表明，在室温下存在热激活延迟荧光 (TADF) 过程。我们通过第一性原理计算计算了光物理过程的系统间交叉和反向系统间交叉的速率常数，以非常好的一致性支持实验观察。

  DOI：

  10.1039/d1tc04905d
• 作为产物：
  描述：

  正丁基锂 、 1,4-二溴四氟苯 以 乙醚 为溶剂， 以70%的产率得到4-bromo 2,3,5,6-tetrafluoro phenyllithium
  参考文献：
  名称：

  Organolithium Intermediates from 1,4-Disubstituted Tetrafluorobenzene Compounds

  摘要：

  DOI：

  10.1021/jo01341a022

文献信息

• Fluoro-ketones. V reaction of alkyl and aryllithium compunds with perfluoroalkylether esters
  作者：Loomis S. Chen、Christ Tamborski

  DOI：10.1016/s0022-1139(00)85237-9

  日期：1981.11

  variety of aryllithium compounds have been shown to react with a perfluoroalkylether ester (RfORfCO2R) at −78°C to produce perfluoroalkylether ketones. In the absence of competing reactions, which may be due to additional reactive groups on the ester, high yields of ketones can be prepared. Steric hindrance adjacent to the carbonyl group has an important effect on rates of reactions. Low reaction temperature

  已显示正丁基锂和各种芳基锂化合物在-78°C下与全氟烷基醚酯（R f OR f CO 2 R）反应生成全氟烷基醚酮。在没有竞争反应的情况下（可能由于酯上的其他反应性基团），可以制备高产率的酮。与羰基相邻的立体位阻对反应速率有重要影响。使用仲酸酯时，低反应温度为-78°C是重要因素。在较高的反应温度≥30℃下，由于半缩酮的中间锂盐的不稳定性分解成芳基酯和全氟烯烃，仲酯产生的酮的产率降低。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: F: PerFHalOrg.4, 1.3.1, page 2 - 8
  作者：

  DOI：——

  日期：——
• Liquid-Crystalline Mono- and Dinuclear (Perhalophenyl)gold(I) Isocyanide Complexes
  作者：Rocio Bayón、Silverio Coco、Pablo Espinet、César Fernández-Mayordomo、José M. Martín-Alvarez

  DOI：10.1021/ic960917s

  日期：1997.5.1

  Rodlike gold(I) and gold(III) complexes [AuR(C drop N(C6H4)(m)OCnH2n+1-p)] (m = 1, n = 10, R = C6F5; m = 2, n = 4, 6, 8, 10, 12, R = C6F5, C6F4Br-o, C6F4Br-p), [(mu-4,4'-C6F4C6F4)AuC drop N(C6H4)(m)OCnH2n+1}(2)] (m = 1, 2; n = 4, 6, 8, 10, 12), [AuRI2(C drop NC6H4C6H4OCnH2+1-p)] (R = C6F5, n = 8; R = C6F4Br-o, n = 10), and [(mu-4,4'-C6F4C6F4)AuX2C drop N(C6H4)(m)OCmH2n+1}(2)] (m = 1, 2; n = 4, 6, 8, 10, 12) have been prepared and their liquid crystal behavior has been studied. The gold(III) compounds are not mesomorphic, but all the perhalo-gold(I) derivatives described are liquid crystals except the phenyl isocyanide gold(I) derivative [Au(C6F5)(C drop NC6H4-OC10H21-p)]. The mononuclear derivatives show only a nematic (N) phase when the isocyanides have a short tail (n = 4), N and smectic A phases (S-A) when the isocyanides have an intermediate tail (n = 6, 8), and only S-A phases for longer chains. Their thermal stability is high, even in the isotropic state. The variation in transition temperatures is as follows: C6F4Br-p greater than or equal to C6F5 > C6F4Br-o when n less than or equal to 6 and C6F4Br-p > C6F4Br-o > C6F5 for n greater than or equal to 8. This behavior is understood on the basis of electronic and steric factors. The dinuclear compounds [(mu-4,4'-C6F4C6F4)AuC drop N(C6H4)(m)OCnH2n+1}(2) display only N mesophases and all the biphenylisocyanide derivatives and phenyl isocyanide compounds with n less than or equal to 6 undergo some decomposition upon reaching the clearing point to the isotropic state.
• CHEN, L. S.;TAMBORSKI, C., J. FLUOR. CHEM., 1981, 19, N 1, 43-53
  作者：CHEN, L. S.、TAMBORSKI, C.

  DOI：——

  日期：——