2-(4-phenylphenyl)-2-(2-phenylethynyl)-1,3-dithiolane | 928843-01-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 2-(4-phenylphenyl)-2-(2-phenylethynyl)-1,3-dithiolane
• 英文别名: 2-(2-phenylethynyl)-2-(4-biphenyl)-1,3-dithiolane；2-(biphenyl-4-yl)-2-(phenylethynyl)-1,3-dithiolane；2-(2-Phenylethynyl)-2-(4-phenylphenyl)-1,3-dithiolane
• CAS: 928843-01-0
• 化学式: C₂₃H₁₈S₂
• 分子量: 358.528
• InChiKey: PSYPWDQMEUXQIP-UHFFFAOYSA-N

物化性质

• 熔点：
  97-98 °C
• 沸点：
  543.6±50.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  50.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4-phenylphenyl)-2-(2-phenylethynyl)-1,3-dithiolane 在 gold(I) chloride 作用下， 以 甲苯 为溶剂， 反应 1.0h， 以95%的产率得到6,9-diphenyl-2,3-dihydro-1,4-dithiofluorene
  参考文献：
  名称：

  Au-Catalyzed Reaction of Propargylic Sulfides and Dithioacetals

  摘要：

  Propargylic sulfides and dithioacetals are found to undergo similar transformations as propargylic carboxylates when catalyzed by AuCl or AuCl3, affording indene derivatives through pentannulation of aromatic rings. The reaction presumably involves Au carbene as the reactive intermediate.

  DOI：

  10.1021/jo0618674
• 作为产物：
  描述：

  lithium phenylacetylide 在 manganese(IV) oxide 作用下， 生成 2-(4-phenylphenyl)-2-(2-phenylethynyl)-1,3-dithiolane
  参考文献：
  名称：

  Optical behaviors of conjugated-chain compounds containing benzene and furan units

  摘要：

  Thirteen conjugated-chain compounds which contain benzene and furan units were prepared, their optical behaviors, including UV-vis absorption coefficient (epsilon), absorption wavelengths (lambda(a)) fluorescence emission wavelengths and quantum yields (0) were measured. Meanwhile, their LUMO and HOMO energy were determined by cyclic voltammetry and their second-order polarizations (beta(xxx)) values were determined by solvatochromic method, respectively. The results showed that this kind of compounds possess a shorter lambda(a) (320-365 nm) and performance a higher (P values, especially for 2aa, 2ab, 2ac and 2bb, their Phi values are all more than 90%. These compounds, except 2db, showed a higher beta(xxx) values in DMSO, especially for 2dc (75.77 x 10(-30) m(5) C-1) and 2dd (83.32 x 10(-30) m(5) C-1), than that 10-methyl-acri done (6.578 x 10(-30) m(5) C-1) or 10-benzylacridone (6.845 x 10(-30) m(5) C-1) in DMSO did, and second harmonic generation value of 10-methylacridone and 10-benzylacridone in powder are, respectively, 1.381 and 1.861 times of that value of urea. The beta(xxx) values and Phi values determined for these compounds in this work were lower than these values which were desired in the original work, this phenomena was explained from their molecular structures. This work confirmed that as these compounds performance shorter lambda(a) and higher Phi values, they could be good blue-color optical materials for some fields, such as OLED materials, two-photo absorption materials, fluorescent dyes. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2006.05.035

文献信息

• LED based on alternating benzene-furan oligomers
  作者：Senchuan Song、Jianghan Chen、Wenlong Pan、Hucacan Song、Huahong Shi、Yuliang Mai、Wu Wen

  DOI：10.1016/j.saa.2016.07.008

  日期：2017.1

  Meanwhile, the excitation spectrum and emission spectrum of 2b and 2d in solid and in ethyl acetate were respectively recorded, the thermal stability of 2b and 2d was evaluated, and the fluorescence emission behaviors of two light emitting diodes, fabricated with 2b and 2d as phosphors, were investigated. The results showed that most of target compounds can perform high fluorescence emission ability, compounds

  通过两种不同的方法合成了一系列包含两个呋喃单元和三个以上其他芳香环单元的共轭链化合物，它们的紫外可见吸收系数（ε），最大吸收波长（λa），荧光发射波长（λe）确定了斯托克斯位移和量子产率（Φ），讨论了分子结构与光谱行为的影响之间的关系。同时，分别记录了固体和乙酸乙酯中2b和2d的激发光谱和发射光谱，评估了2b和2d的热稳定性，以及两个以2b和2d为荧光粉制造的发光二极管的荧光发射行为。 ，进行了调查。结果表明，大多数目标化合物均具有较高的荧光发射能力，化合物2b和2d在350℃下可以具有较高的热稳定性，并且它们适合于制造作为磷光体的发光二极管，用2b和2d制造的发光二极管可以显示出较高的荧光发射能力。因此，这些化合物值得进一步开发为荧光发射材料。
• Au-Catalyzed Reaction of Propargylic Sulfides and Dithioacetals
  作者：Lingling Peng、Xiu Zhang、Shiwei Zhang、Jianbo Wang

  DOI：10.1021/jo0618674

  日期：2007.2.1

  Propargylic sulfides and dithioacetals are found to undergo similar transformations as propargylic carboxylates when catalyzed by AuCl or AuCl3, affording indene derivatives through pentannulation of aromatic rings. The reaction presumably involves Au carbene as the reactive intermediate.
• Optical behaviors of conjugated-chain compounds containing benzene and furan units
  作者：Wen-Long Pan、Ji-Guo Song、Yong Chen、Yi-Qian Wan、Hua-Can Song

  DOI：10.1016/j.saa.2006.05.035

  日期：2007.4

  Thirteen conjugated-chain compounds which contain benzene and furan units were prepared, their optical behaviors, including UV-vis absorption coefficient (epsilon), absorption wavelengths (lambda(a)) fluorescence emission wavelengths and quantum yields (0) were measured. Meanwhile, their LUMO and HOMO energy were determined by cyclic voltammetry and their second-order polarizations (beta(xxx)) values were determined by solvatochromic method, respectively. The results showed that this kind of compounds possess a shorter lambda(a) (320-365 nm) and performance a higher (P values, especially for 2aa, 2ab, 2ac and 2bb, their Phi values are all more than 90%. These compounds, except 2db, showed a higher beta(xxx) values in DMSO, especially for 2dc (75.77 x 10(-30) m(5) C-1) and 2dd (83.32 x 10(-30) m(5) C-1), than that 10-methyl-acri done (6.578 x 10(-30) m(5) C-1) or 10-benzylacridone (6.845 x 10(-30) m(5) C-1) in DMSO did, and second harmonic generation value of 10-methylacridone and 10-benzylacridone in powder are, respectively, 1.381 and 1.861 times of that value of urea. The beta(xxx) values and Phi values determined for these compounds in this work were lower than these values which were desired in the original work, this phenomena was explained from their molecular structures. This work confirmed that as these compounds performance shorter lambda(a) and higher Phi values, they could be good blue-color optical materials for some fields, such as OLED materials, two-photo absorption materials, fluorescent dyes. (c) 2006 Elsevier B.V. All rights reserved.