(E)-1-bromo-4-(4-(trifluoromethyl)styryl)benzene | 861404-64-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (E)-1-bromo-4-(4-(trifluoromethyl)styryl)benzene
• 英文别名: 1-bromo-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
• CAS: 861404-64-0
• 化学式: C₁₅H₁₀BrF₃
• 分子量: 327.144
• InChiKey: JNRPPZSHEAYNRJ-OWOJBTEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  铂(三乙基膦)4 、 (E)-1-bromo-4-(4-(trifluoromethyl)styryl)benzene 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  铂络合物中的远程跨界异核通讯

  摘要：

  四种类似的基于二苯乙烯和苯乙烯基铂的配合物在溶液中表现出不同寻常的远距离异核自旋耦合。单晶分析和NMR实验表明，19 F，31 P和195 Pt原子核通过键而不是通过空间进行较大距离（0.9-1.3 nm）的通信。在7 J PtF = 2.9 Hz和8 J PF = 11.8 Hz的情况下，观察到七个键之间195 Pt和19 F之间以及三个键之间的31 P和19 F之间的自旋旋转耦合。值得注意的是，在195 Pt和19之间有非常大的自旋耦合在与结构相关的吡啶鎓络合物中也观察到超过六个键的F（6 J PtF = 40.1 Hz）。实验和gNMR（5.0版）模拟了配合物的19 F { 1 H}，31 P { 1 H}和195 Pt { 1 H}光谱，揭示了三旋AMY系统（A = 31 P，M = 31 P ，Y = 19 F）或五轴AMY 3侧面接有四轴AMXY或六轴AMXY 3系统（X = 195Pt）。在PBE0

  DOI：

  10.1021/ic801940h
• 作为产物：
  描述：

  对溴碘苯 在 lithium chloro-isopropyl-magnesium chloride 、 palladium diacetate 、 [双(三氟乙酰氧基)碘]苯 作用下， 以 四氢呋喃 、 环己烷 为溶剂， 反应 5.0h， 生成 (E)-1-bromo-4-(4-(trifluoromethyl)styryl)benzene
  参考文献：
  名称：

  有机锗烷正交烯化

  摘要：

  芳基锗烷与烯烃在（准）卤素（C−I、C−Br、C−Cl、C−F、C−OTf、C−OSO 2 F）、硅烷和硼酸上的位点和电子选择性偶联衍生品已被报道。这种前所未有的基于[Ge]的氧化Heck偶联在室温下、在耐空气和无碱条件下高速进行。

  DOI：

  10.1002/anie.202310380

文献信息

• Photophysical Properties of Silyl‐Substituted Stilbene Derivatives
  作者：Hajime Maeda、Ryo Horikoshi、Minoru Yamaji、Taniyuki Furuyama、Masahito Segi

  DOI：10.1002/ejoc.202000397

  日期：2020.6.23

  Absorption and fluorescence properties of silyl‐substituted stilbenes were investigated. The derivative in which four Me3Si groups were introduced at the ortho positions did not fluoresce at room temperature. The para bis‐Me3SiC≡C‐substituted analog has a high fluorescence quantum yield (0.95). The stilbene containing Ph2N and Me3SiC≡C groups exhibited solvatofluorochromism while maintaining a good

  研究了甲硅烷基取代的斯蒂苯酯的吸收和荧光性质。在邻位引入四个Me 3 Si基的衍生物在室温下不发荧光。的对位双-ME 3 SiC≡C取代类似物具有高荧光量子产率（0.95）。含pH值茋2 N和我3 SiC≡C组表现出solvatofluorochromism同时保持良好的发射量子产率（0.50）。
• Spectroscopic Correlations between Supermolecules and Molecules. Anatomy of the Ion-Modulated Electronic Properties of the Nitrogen Donor in Monoazacrown-Derived Intrinsic Fluoroionophores
  作者：Jye-Shane Yang、Chung-Yu Hwang、Chia-Chun Hsieh、Shih-Yi Chiou

  DOI：10.1021/jo035462k

  日期：2004.2.1

  The synthesis, absorption and emission spectra, fluorescence quantum yields, and fluorescence lifetimes of three compound series of trans-4,4'-disubstituted aminostilbenes (1-3) are reported. The chromo-/fluoroionophoric behavior of the monoaza-15-crown-5- (A15C5) and monoaza-18-crown-6 (A18C6)-derived species (1A(5)-3A(5) and 1A(6)-3A(6)) in acetonitrile and dichloromethane are also investigated. Great similarities in electronic spectroscopic properties (chemical shifts, wavelength, intensity, and lifetime) between the metal ion-complexed supermolecules and the corresponding chloro-substituted molecules have been observed: namely, 1A(5)/Ca2+-3A(5)/Ca2+ similar to 1A(6)/Ba2+-3A(6)/ Ba(2+)similar to 1C-3C in acetonitrile and 1A(5)/Na+-2A(5)/Na+ similar to 1A(6)/K+-2A(6)/K+ similar to 1C-2C in dichloromethane. Such spectroscopic correlations allow us to define the metal ion-modulated electronic character of the azacrown nitrogen atom in the ground and excited states and, in turn, to gain insights into the observed fluoroionophoric behavior of these probes in terms of the size and direction of fluorescence shifts and intensity variations.
• Long-Range Through-Bond Heteronuclear Communication in Platinum Complexes
  作者：Olena V. Zenkina、Leonid E. Konstantinovski、Linda J. W. Shimon、Yael Diskin-Posner、Mark A. Iron、Milko E. van der Boom

  DOI：10.1021/ic801940h

  日期：2009.5.4

  heteronuclear spin−spin coupling in solution. Single crystal analysis and NMR experiments show that the 19F, 31P, and 195Pt nuclei communicate over large distances (0.9−1.3 nm) through bond rather than through space. Spin−spin couplings between 195Pt and 19F over seven bonds and between 31P and 19F over eight bonds are observed with 7JPtF = 2.9 Hz and 8JPF = 11.8 Hz. Remarkably, a very large spin coupling between

  四种类似的基于二苯乙烯和苯乙烯基铂的配合物在溶液中表现出不同寻常的远距离异核自旋耦合。单晶分析和NMR实验表明，19 F，31 P和195 Pt原子核通过键而不是通过空间进行较大距离（0.9-1.3 nm）的通信。在7 J PtF = 2.9 Hz和8 J PF = 11.8 Hz的情况下，观察到七个键之间195 Pt和19 F之间以及三个键之间的31 P和19 F之间的自旋旋转耦合。值得注意的是，在195 Pt和19之间有非常大的自旋耦合在与结构相关的吡啶鎓络合物中也观察到超过六个键的F（6 J PtF = 40.1 Hz）。实验和gNMR（5.0版）模拟了配合物的19 F 1 H}，31 P 1 H}和195 Pt 1 H}光谱，揭示了三旋AMY系统（A = 31 P，M = 31 P ，Y = 19 F）或五轴AMY 3侧面接有四轴AMXY或六轴AMXY 3系统（X = 195Pt）。在PBE0
• Orthogonal Olefination with Organogermanes
  作者：Amit Dahiya、Markus D. Schoetz、Franziska Schoenebeck

  DOI：10.1002/anie.202310380

  日期：2023.10.23

  The site- and E-selective coupling of aryl germanes with alkenes over (pseudo)halogens (C−I, C−Br, C−Cl, C−F, C−OTf, C−OSO2F), silanes and boronic acid derivatives is reported. This unprecedented [Ge]-based oxidative Heck coupling proceeds at room temperature with high speed and under air-tolerant and base-free conditions.

  芳基锗烷与烯烃在（准）卤素（C−I、C−Br、C−Cl、C−F、C−OTf、C−OSO 2 F）、硅烷和硼酸上的位点和电子选择性偶联衍生品已被报道。这种前所未有的基于[Ge]的氧化Heck偶联在室温下、在耐空气和无碱条件下高速进行。