bis(1-methylethyl) (3-iodopropyl)phosphonate | 156464-90-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物
• 英文名称: bis(1-methylethyl) (3-iodopropyl)phosphonate
• 英文别名: diisopropyl 3-iodopropyl phosphonate
• CAS: 156464-90-3
• 化学式: C₉H₂₀IO₃P
• 分子量: 334.134
• InChiKey: ACDBWHAOYJPHHU-UHFFFAOYSA-N

物化性质

• 沸点：
  324.0±25.0 °C(predicted)
• 密度：
  1.430±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.85
• 重原子数：
  14.0
• 可旋转键数：
  7.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  bis(1-methylethyl) (3-iodopropyl)phosphonate 在 盐酸 、 sodium acetate 、 碳酸氢钠 、 sodium nitrite 作用下， 反应 6.25h， 生成 bis(1-methylethyl) (3-N-methyl((4-((4-formylphenyl)azo)phenyl)amino)propyl)phosphonate
  参考文献：
  名称：

  Chromophore Structure, Second Harmonic Generation, and Orientational Order in Zirconium Phosphonate/Phosphate Self-Assembled Multilayers

  摘要：

  Two new phosphonate-terminated polar azo dyes, one that is substantially rigid (1) and the other with a large molecular hyperpolarizability (2), were designed and incorporated into zirconium-based surface multilayers. Second harmonic generation (SHG) was observed from the multilayers as a function of incident and polarization angles and compared with that from the previously reported aminophenylazophenylphosphonic acid chromophore 3. The new dyes are analogous to moieties commonly used in electric field-poled polymers, allowing comparisons between the polymers and the multilayers. Apparent order parameters (cos(3) theta) are >0.2 for 1 and approximate to 0.16 for 2. Because of local field effects, the value for 1 is probably a lower limit. Use of other dyes that are both rigid and highly polar led to H-aggregation. Insertion of a nonpolar chromophore layer among the polar layers had no effect on SHG. The syntheses involved several novel reactions, involving the preparation of an unsymmetrically substituted diphenylpiperazine, an anilinoalkyl phosphonate, and the deprotected phosphonic acids themselves.

  DOI：

  10.1021/ja00094a019
• 作为产物：
  描述：

  三异丙基亚磷酸酯 、 1,3-二碘丙烷 反应 2.0h， 生成 bis(1-methylethyl) (3-iodopropyl)phosphonate
  参考文献：
  名称：

  Chromophore Structure, Second Harmonic Generation, and Orientational Order in Zirconium Phosphonate/Phosphate Self-Assembled Multilayers

  摘要：

  Two new phosphonate-terminated polar azo dyes, one that is substantially rigid (1) and the other with a large molecular hyperpolarizability (2), were designed and incorporated into zirconium-based surface multilayers. Second harmonic generation (SHG) was observed from the multilayers as a function of incident and polarization angles and compared with that from the previously reported aminophenylazophenylphosphonic acid chromophore 3. The new dyes are analogous to moieties commonly used in electric field-poled polymers, allowing comparisons between the polymers and the multilayers. Apparent order parameters (cos(3) theta) are >0.2 for 1 and approximate to 0.16 for 2. Because of local field effects, the value for 1 is probably a lower limit. Use of other dyes that are both rigid and highly polar led to H-aggregation. Insertion of a nonpolar chromophore layer among the polar layers had no effect on SHG. The syntheses involved several novel reactions, involving the preparation of an unsymmetrically substituted diphenylpiperazine, an anilinoalkyl phosphonate, and the deprotected phosphonic acids themselves.

  DOI：

  10.1021/ja00094a019

文献信息

• Zirconium phosphate/phosphonate multilayered films based on push–pull stilbazolium salt: synthesis, characterization and second harmonic generation
  作者：Tamara Morotti、Valentina Calabrese、Marco Cavazzini、Danilo Pedron、Matteo Cozzuol、Antonino Licciardello、Nunzio Tuccitto、Silvio Quici

  DOI：10.1039/b801194j

  日期：——

  molecular components oriented in the same direction and this is synthetically fairly difficult to achieve. This study describes the synthesis of the push–pull stilbazolium salt 1 and its assembly in multilayered acentric thin films, on quartz glass surface, by using the zirconium phosphate/phosphonate (Zr-POx) technique. A particular care has been paid to the optimization of the surface preparation and of

  制备具有增强的二次谐波产生（SHG）值的材料 自组装如今，以高二阶非线性光学（NLO）活性为特征的分子的研究是一个重要而富有挑战性的研究领域。为了显示SHG，该材料必须具有一个无心结构，分子成分的偶极子朝向同一方向，这在合成上是相当困难的。这项研究描述了推挽式噻唑鎓盐1的合成及其部件 在多层无心薄膜中， 石英玻璃表面，使用磷酸锆/膦酸锆（Zr-PO x）技术。特别注意了表面处理和沉积条件的优化。这样可以得到高度均质的层状无机有机材料，该材料显示令人满意的二次谐波（SHG）值以及高化学，热和机械稳定性，这对于将它们集成到光电设备中是必不可少的。