{{4-{2-[4-(2-ethylhexylsulfonyl)phenyl]ethenyl}phenyl}methyl}phosphonic acid diethyl ester | 444727-36-0

• 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: {{4-{2-[4-(2-ethylhexylsulfonyl)phenyl]ethenyl}phenyl}methyl}phosphonic acid diethyl ester
• 英文别名: 1-(diethoxyphosphorylmethyl)-4-[(E)-2-[4-(2-ethylhexylsulfonyl)phenyl]ethenyl]benzene
• CAS: 444727-36-0
• 化学式: C₂₇H₃₉O₅PS
• 分子量: 506.643
• InChiKey: WYYRQKHCNGQKOD-VAWYXSNFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.61
• 重原子数：
  34.0
• 可旋转键数：
  15.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  69.67
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  {{4-{2-[4-(2-ethylhexylsulfonyl)phenyl]ethenyl}phenyl}methyl}phosphonic acid diethyl ester 在 4-二甲氨基吡啶 、 4,4'-硫联二(6-叔丁基-2-甲基苯酚) 、 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 2-methyl-2-propenoic acid 2-{2-{4-{2-{4-{2-[4-(2-ethylhexylsulfonyl)phenyl]ethenyl}phenyl}ethenyl}phenoxy}ethoxy}ethyl ester
  参考文献：
  名称：

  Synthesis and optical characterization of unsymmetrical oligophenylenevinylenes

  摘要：

  An efficient route to highly soluble unsymmetrical oligo(phenylenevinylenes) (OPVs) has been developed. The OPVs are end-substituted with donor alkoxy and acceptor sulfonyl groups for charge polarization and incorporate a methacrylate unit suitable for co-polymerization. The absorption and excitation spectra of the OPVs and their precursors have been examined; vibronic features are noted, and pi-system lengthening and introduction of polarizing substituents red-shift the spectral maxima. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)00003-0
• 作为产物：
  描述：

  1-(bromomethyl)-4-[(E)-2-[4-(2-ethylhexylsulfanyl)phenyl]ethenyl]benzene 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 {{4-{2-[4-(2-ethylhexylsulfonyl)phenyl]ethenyl}phenyl}methyl}phosphonic acid diethyl ester
  参考文献：
  名称：

  Synthesis and optical characterization of unsymmetrical oligophenylenevinylenes

  摘要：

  An efficient route to highly soluble unsymmetrical oligo(phenylenevinylenes) (OPVs) has been developed. The OPVs are end-substituted with donor alkoxy and acceptor sulfonyl groups for charge polarization and incorporate a methacrylate unit suitable for co-polymerization. The absorption and excitation spectra of the OPVs and their precursors have been examined; vibronic features are noted, and pi-system lengthening and introduction of polarizing substituents red-shift the spectral maxima. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)00003-0