butyl[5-(4-biphenyloxy)pentyl]tin dibromide | 648930-70-5

• 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: butyl[5-(4-biphenyloxy)pentyl]tin dibromide
• CAS: 648930-70-5
• 化学式: C₂₁H₂₈Br₂OSn
• 分子量: 574.971
• InChiKey: VXKMMVHYXMAJQI-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.02
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-戊-4-烯氧基-4-苯基苯 在 2,2'-azobisisobutyronitrile 作用下， 以 氯仿 为溶剂， 生成 butyl[5-(4-biphenyloxy)pentyl]tin dibromide
  参考文献：
  名称：

  Organotin compounds bearing mesogenic sidechains: synthesis, X-ray structures and polymerisation chemistry

  摘要：

  Organotin compounds R3Sn(CH2)(n+2)OC6H4C6H4Y (R-3 = Ph-3, Ph2Bu; Y = H, CN; n = 1-3) and RX2Sn(CH2)(n+2)OC6H4C6H4Y (R = Ph, Bu; Y = H, CN; X = Br, I; n = 1-3) have been synthesised and characterised by H-1-, C-13-, Sn-119-NMR and Mossbauer spectroscopies. X-ray crystallography reveals tetrahedral geometries for Ph3Sn(CH2)(4)OC6H4C6H5 and Ph3Sn(CH2)(3)OC6H4C6H4CN, a six-coordinated, bromine-bridged dimeric structure for PhBr2Sn(CH2)(3)OC6H4C6H5 containing a mer-Br3C2OSn coordination sphere about tin and a five-coordinated monomeric structure for PhBr2Sn(CH2)3OC6H4C6H4CN. In all cases there is strong alignment of mesogenic groups in the solid-state but only PhBr2Sn(CH2)(3)OC6H4C6H4CN shows any indication of liquid-crystal behaviour. Wurtz polymerisation of RBr2Sn(CH2)(5)OC6H4C6H5 (R = Ph, Bu), both of which contain non-chelating ether functions, generated polystannanes (RR'Sn)(n) with M-n 2.3 x 10(5); M-w 3.0 x 10(5); M-w/M-n 1.30 and M-n 1.3 x 10(5); M-w 2.5 x 10(5); M-w/M-n 1.96, respectively, while no polymer was obtained from chelated PhBr2Sn(CH2)(3)OC6H4C6H5 (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2003.08.003

文献信息

• Organotin compounds bearing mesogenic sidechains: synthesis, X-ray structures and polymerisation chemistry
  作者：P.R. Deacon、N. Devylder、M.S. Hill、M.F. Mahon、K.C. Molloy、G.J. Price

  DOI：10.1016/j.jorganchem.2003.08.003

  日期：2003.12

  Organotin compounds R3Sn(CH2)(n+2)OC6H4C6H4Y (R-3 = Ph-3, Ph2Bu; Y = H, CN; n = 1-3) and RX2Sn(CH2)(n+2)OC6H4C6H4Y (R = Ph, Bu; Y = H, CN; X = Br, I; n = 1-3) have been synthesised and characterised by H-1-, C-13-, Sn-119-NMR and Mossbauer spectroscopies. X-ray crystallography reveals tetrahedral geometries for Ph3Sn(CH2)(4)OC6H4C6H5 and Ph3Sn(CH2)(3)OC6H4C6H4CN, a six-coordinated, bromine-bridged dimeric structure for PhBr2Sn(CH2)(3)OC6H4C6H5 containing a mer-Br3C2OSn coordination sphere about tin and a five-coordinated monomeric structure for PhBr2Sn(CH2)3OC6H4C6H4CN. In all cases there is strong alignment of mesogenic groups in the solid-state but only PhBr2Sn(CH2)(3)OC6H4C6H4CN shows any indication of liquid-crystal behaviour. Wurtz polymerisation of RBr2Sn(CH2)(5)OC6H4C6H5 (R = Ph, Bu), both of which contain non-chelating ether functions, generated polystannanes (RR'Sn)(n) with M-n 2.3 x 10(5); M-w 3.0 x 10(5); M-w/M-n 1.30 and M-n 1.3 x 10(5); M-w 2.5 x 10(5); M-w/M-n 1.96, respectively, while no polymer was obtained from chelated PhBr2Sn(CH2)(3)OC6H4C6H5 (C) 2003 Elsevier B.V. All rights reserved.