{{4-{2-[4-(2-ethylhexylthio)phenyl]ethenyl}phenyl}methyl}phosphonic acid diethyl ester | 444727-24-6

• 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-ethylhexylthio)phenyl]ethenyl}phenyl}methyl}phosphonic acid diethyl ester
• 英文别名: 1-(diethoxyphosphorylmethyl)-4-[(E)-2-[4-(2-ethylhexylsulfanyl)phenyl]ethenyl]benzene
• CAS: 444727-24-6
• 化学式: C₂₇H₃₉O₃PS
• 分子量: 474.645
• InChiKey: IQFFVEUGKCNYGO-VAWYXSNFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  32
• 可旋转键数：
  15
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  60.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  {{4-{2-[4-(2-ethylhexylthio)phenyl]ethenyl}phenyl}methyl}phosphonic acid diethyl ester 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以95%的产率得到{{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
• 作为产物：
  描述：

  4-(diethyoxyphosphorylmethyl)benzoic acid methyl ester 在 lithium aluminium tetrahydride 、 sodium hydride 、 triphenylphosphine dibromide 1:1 addition complex 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 {{4-{2-[4-(2-ethylhexylthio)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

文献信息

• Synthesis and optical characterization of unsymmetrical oligophenylenevinylenes
  作者：Anke C Freydank、Mark G Humphrey、Reiner W Friedrich、Barry Luther-Davies

  DOI：10.1016/s0040-4020(02)00003-0

  日期：2002.2

  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.