C6H4-1,3-(CH2SC6F5)2 | 610310-89-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: C6H4-1,3-(CH2SC6F5)2
• 英文别名: 1,2,3,4,5-Pentafluoro-6-[[3-[(2,3,4,5,6-pentafluorophenyl)sulfanylmethyl]phenyl]methylsulfanyl]benzene
• CAS: 610310-89-9
• 化学式: C₂₀H₈F₁₀S₂
• 分子量: 502.4
• InChiKey: BECDNCWSRKXGOZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  50.6
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  双(乙腈)氯化钯(II) 、 C6H4-1,3-(CH2SC6F5)2 以0%的产率得到[PdCl(κ3-C6H3-1,3-(CH2SC6F5)2)]
  参考文献：
  名称：

  Palladium( II ) Compounds with Fluorinated Pincer‐Type (SCS) Ligands: X‐ray Structures of C ₆ H ₄ ‐1,3‐(CH ₂ SC ₆ H ₄ F‐4) ₂ and [PdCl(SCS–R _f )] [R _f = C ₆ H ₄ F‐2, C ₆ H ₄ F‐3, C ₆ H ₄ F‐4, C ₆ H ₄ (CF ₃ )‐2, and C ₆ H ₄ (CF ₃ )‐4]

  摘要：

  AbstractMetathesis reactions employing lead fluorothiolates and C6H4‐1,3‐(CH2Br)2 afford the corresponding pincer‐type dithioether ligands C6H4‐1,3‐(CH2SRf)2 [Rf = C6H4F‐2 (L1), C6H4F‐3 (L2), C6H4F‐4 (L3), C6H4CF3‐2 (L4), C6H4CF3‐3 (L5), and C6H4CF3‐4 (L6)]. A series of PdII pincer‐type complexes [PdCl(κ3‐Ln)], 1 to 6, were prepared and fully characterized. The X‐ray diffraction molecular structures of C6H4‐1,3‐[CH2S(C6H4F‐4)]2 (L3), [PdCl(SCS–C6H4F‐2)] (1), [PdCl(SCS–C6H4F‐3)] (2), [PdCl(SCS–C6H4F‐4)] (3), [PdCl{SCS–C6H4(CF3)‐2}] (4), and [PdCl{SCS–C6H4(CF3)‐4}] (6) are also reported. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)

  DOI：

  10.1002/ejic.200500818
• 作为产物：
  描述：

  lead pentafluorothiophenolate 、 间二溴苄 以 甲苯 为溶剂， 反应 24.0h， 以85%的产率得到C6H4-1,3-(CH2SC6F5)2
  参考文献：
  名称：

  Fluorosulfur Containing PincerPotential Ligands, 1,3-(CH₂SR_f)₂C₆H₄and 1,2,4,5-(CH₂SR_f)₄C₆H₂.X-Ray Structure of 1,3-(CH₂SC₆F₅)₂C₆H₄

  摘要：

  含氟硫的夹心配体1,3-(CH2SRf)2C6H4 [Rf = C6F5 (1) 和 4-HC6F4 (2)] 以及1,2,4,5-(CH2SRf)4C6H2 [Rf = C6F5 (3) 和 4-HC6F4 (4)] 是通过处理1,3-(CH2Br)2C6H4或1,2,4,5-(CH2Br)4C6H2与相应的铅硫代盐Pb(SRf)2制备的。

  DOI：

  10.1055/s-2003-40514

文献信息

• Palladium( <scp>II</scp> ) Compounds with Fluorinated Pincer‐Type (SCS) Ligands: X‐ray Structures of C ₆ H ₄ ‐1,3‐(CH ₂ SC ₆ H ₄ F‐4) ₂ and [PdCl(SCS–R _f )] [R _f = C ₆ H ₄ F‐2, C ₆ H ₄ F‐3, C ₆ H ₄ F‐4, C ₆ H ₄ (CF ₃ )‐2, and C ₆ H ₄ (CF ₃ )‐4]
  作者：Ruy Cervantes、Sandra Castillejos、Stephen J. Loeb、Luis Ortiz‐Frade、Jorge Tiburcio、Hugo Torrens

  DOI：10.1002/ejic.200500818

  日期：2006.3

  AbstractMetathesis reactions employing lead fluorothiolates and C6H4‐1,3‐(CH2Br)2 afford the corresponding pincer‐type dithioether ligands C6H4‐1,3‐(CH2SRf)2 [Rf = C6H4F‐2 (L1), C6H4F‐3 (L2), C6H4F‐4 (L3), C6H4CF3‐2 (L4), C6H4CF3‐3 (L5), and C6H4CF3‐4 (L6)]. A series of PdII pincer‐type complexes [PdCl(κ3‐Ln)], 1 to 6, were prepared and fully characterized. The X‐ray diffraction molecular structures of C6H4‐1,3‐[CH2S(C6H4F‐4)]2 (L3), [PdCl(SCS–C6H4F‐2)] (1), [PdCl(SCS–C6H4F‐3)] (2), [PdCl(SCS–C6H4F‐4)] (3), [PdClSCS–C6H4(CF3)‐2}] (4), and [PdClSCS–C6H4(CF3)‐4}] (6) are also reported. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)
• Fluorosulfur Containing PincerPotential Ligands, 1,3-(CH₂SR_f)₂C₆H₄and 1,2,4,5-(CH₂SR_f)₄C₆H₂.X-Ray Structure of 1,3-(CH₂SC₆F₅)₂C₆H₄
  作者：Maribel Arroyo、Ruy Cervantes、Valente Gómez-Benítez、Paola López、David Morales-Morales、Hugo Torrens、Rubén A. Toscano

  DOI：10.1055/s-2003-40514

  日期：——

  The fluorosulfur containing pincer ligands 1,3-(CH2SRf)2C6H4 [Rf = C6F5 (1) and 4-HC6F4 (2)] and 1,2,4,5-(CH2SRf)4C6H2 [Rf = C6F5 (3) and 4-HC6F4 (4)] have been prepared by treatment of 1,3-(CH2Br)2C6H4 or 1,2,4,5-(CH2Br)4C6H2 with the corresponding lead thiolate Pb(SRf)2.

  含氟硫的夹心配体1,3-(CH2SRf)2C6H4 [Rf = C6F5 (1) 和 4-HC6F4 (2)] 以及1,2,4,5-(CH2SRf)4C6H2 [Rf = C6F5 (3) 和 4-HC6F4 (4)] 是通过处理1,3-(CH2Br)2C6H4或1,2,4,5-(CH2Br)4C6H2与相应的铅硫代盐Pb(SRf)2制备的。