4-acetyl benzylphosphonate de diethyle | 149193-16-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-acetyl benzylphosphonate de diethyle
• 英文别名: p-diethylphosphonomethyl acetophenone；diethyl 4-(methylcarbonyl)benzyl phosphonate；Phosphonic acid, [(4-acetylphenyl)methyl]-, diethyl ester；1-[4-(diethoxyphosphorylmethyl)phenyl]ethanone
• CAS: 149193-16-8
• 化学式: C₁₃H₁₉O₄P
• 分子量: 270.265
• InChiKey: CYNUDAYTCFRGQT-UHFFFAOYSA-N

物化性质

• 沸点：
  402.5±38.0 °C(Predicted)
• 密度：
  1.125±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-acetyl benzylphosphonate de diethyle 在 溴 作用下， 以 溶剂黄146 为溶剂， 反应 17.0h， 生成 4-<3-(7-nitro imidazo<2,1-b>benzothiazoyl)>benzylphosphonate de diethyle
  参考文献：
  名称：

  Synthèse et approche pharmacologique de nouveaux hétérocycles azotés et soufrés apparentés au Fostedil

  摘要：

  DOI：

  10.1016/0223-5234(92)90158-w
• 作为产物：
  描述：

  1-[4-(氯甲基)苯基]乙酮 、 亚磷酸三乙酯 反应 6.0h， 以51%的产率得到4-acetyl benzylphosphonate de diethyle
  参考文献：
  名称：

  Évaluation de l'activité inhibitrice calcique d'une série de benzylphosphonates de diéthyle

  摘要：

  Thirty-nine diethyl benzylphosphonates related to Fostedil were evaluated as calcium antagonists, using the inhibition test on aortic contraction in the rabbit, which was more selective than the negative inotropic activity test on guinea-pig left atrial muscle. Six compounds were found to have weak activity compared with Fostedil. Structure-activity relationships indicated a certain lipophilic influence; no correlation was found with electronic parameters. The prerequisite structure to obtain active products seems to require 2 conjugated aromatic rings separated by an optimal distance.

  DOI：

  10.1016/0223-5234(92)90120-p

文献信息

• SELF-ASSEMBLING PEPTIDES BEARING ORGANIC ELECTRONIC FUNCTIONALITY AND APPLICATIONS EMPLOYING THE SAME
  申请人：Tovar John Dayton

  公开号：US20120101022A1

  公开（公告）日：2012-04-26

  The aqueous self-assembly of oligopeptide-flanked π-conjugated molecules into discrete one-dimensional nanostructures is described. Unique to these molecules is the fact that the π-conjugated unit has been directly embedded within the peptide backbone by way of a synthetic amino acid with π-functionality that is compatible with standard Fmoc-based peptide synthesis or by way of a diacid or other bis(electrophile) that can covalently cross-link peptide chains presented on a synthesis support. The peptide-based molecular designs enforce intimate π-π communication within the aggregates after charge-screening and self-assembly, making these nanostructures attractive for optical or electronic applications in biological environments. In other embodiments, a convenient method to incorporate π-electron units into peptides that assemble into amyloid-like supramolecular polymers is disclosed. Self-assembly manipulates these “electronic peptides” into delocalized sub-10 nm one dimensional (1-D) nanostructures under completely aqueous conditions.

  本文介绍了寡肽-π共轭分子在水相中自组装成离散一维纳米结构的过程。这些分子的独特之处在于，π共轭单元直接嵌入到寡肽骨架中，通过合成具有π功能的氨基酸，该氨基酸与标准的Fmoc基肽合成兼容，或通过二酸或其他双(亲电子)与合成支撑上呈现的肽链共价交联。寡肽分子的设计在电荷屏蔽和自组装后强制实现聚集体内部的亲-亲作用，使这些纳米结构在生物环境中具有光学或电子应用的吸引力。在其他实施例中，本文还揭示了一种将π电子单元方便地纳入到聚集成类淀粉样超分子聚合物的寡肽中的方法。自组装将这些“电子寡肽”操纵成分散的亚10纳米一维(1-D)纳米结构，在完全水相条件下实现。
• LIGANDS FOR AGGREGATED TAU MOLECULES
  申请人：Kemp Steven John

  公开号：US20110171739A1

  公开（公告）日：2011-07-14

  Provided are certain benzothiazole, imidazothiazole, imidazopyrimidine and imidazopyridine compounds, including, for example: formula (I) and pharmaceutically and physiologically acceptable salts, hydrates, and solvates thereof. Such compounds can be used as diagnostic ligands or labels of tau protein and PHF.

  提供了某些苯并噻唑、咪唑噻唑、咪唑嘧啶和咪唑吡啶化合物，包括例如：式（I）和其药学和生理学上可接受的盐、水合物和溶剂化物。这些化合物可用作tau蛋白和PHF的诊断配体或标记。
• Ligands for aggregated tau molecules
  申请人：Kemp Steven John

  公开号：US08895313B2

  公开（公告）日：2014-11-25

  Provided are certain benzothiazole, imidazothiazole, imidazopyrimidine and imidazopyridine compounds, including, for example: formula (I) and pharmaceutically and physiologically acceptable salts, hydrates, and solvates thereof. Such compounds can be used as diagnostic ligands or labels of tau protein and PHF.

  提供了某些苯并噻唑、咪唑噻唑、咪唑嘧啶和咪唑吡啶化合物，包括例如：式（I）和其药学和生理学上可接受的盐、水合物和溶剂化物。这些化合物可用作tau蛋白和PHF的诊断配体或标记物。
• Rodi, Youssef Kandri; Lopez, Lucien; Bellan, Jacques, Phosphorus, Sulfur and Silicon and the Related Elements, 1993, vol. 85, # 1-4, p. 225 - 231
  作者：Rodi, Youssef Kandri、Lopez, Lucien、Bellan, Jacques、Barrans, Jean、Essassi, El Moktar

  DOI：——

  日期：——
• US7371887B2
  申请人：——

  公开号：US7371887B2

  公开（公告）日：2008-05-13