Diethyl [1-acetyl-8-(2-chloro-4-methoxyphenoxy)octyl]-phosphonate | 73514-97-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: Diethyl [1-acetyl-8-(2-chloro-4-methoxyphenoxy)octyl]-phosphonate
• 英文别名: Phosphonic acid, (1-acetyl-8-(2-chloro-4-methoxyphenoxy)octyl)-, diethyl ester；10-(2-chloro-4-methoxyphenoxy)-3-diethoxyphosphoryldecan-2-one
• CAS: 73514-97-3
• 化学式: C₂₁H₃₄ClO₆P
• 分子量: 448.924
• InChiKey: JVTHXBYIEUZQRQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  29
• 可旋转键数：
  16
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  丙酮基膦酸二乙酯 、 7-(2-chloro-4-methoxyphenoxy)heptyl iodide 生成 Diethyl [1-acetyl-8-(2-chloro-4-methoxyphenoxy)octyl]-phosphonate
  参考文献：
  名称：

  Arylalkyl and aryloxyalkyl phosphonates and use as antiviral agents

  摘要：

  芳基烷基和芳氧烷基膦酸酯，作为抗病毒剂有用，通过将芳基烷基或芳氧烷基卤化物与三烷基膦酸酯，或与二烷基膦酸酯、三烷基膦酸酯烷酸酯或二烷基膦酸酯烷酮的碱金属盐反应而制备。

  公开号：

  US04182759A1

文献信息

• Synthesis of some phosphonates with antiherpetic activity
  作者：G. D. Diana、E. S. Zalay、U. J. Salvador、F. Pancic、B. Steinberg

  DOI：10.1021/jm00371a024

  日期：1984.5

  Several keto phosphonates, phosphonoacetates , and dialkyl phosphonates containing (aryloxy)aryl groups were synthesized and evaluated for antiherpteic activity. Two of the most active compounds, 12 and 16, were evaluated topically in the mouse vaginal model against herpes simplex virus (HSV) type 2. Compound 16 exhibited an increased survival rate, as well as increased survival time. Evaluation of

  合成了几种含（芳氧基）芳基的酮基膦酸酯，膦酸酯，和二烷基膦酸酯，并评估了其抗疱疹活性。在小鼠阴道模型中针对2型单纯疱疹病毒（HSV）局部评估了活性最高的两种化合物12和16。化合物16的存活率提高了，存活时间也增加了。在豚鼠皮肤试验中针对HSV-2进行的评估中有16项评估导致病毒效价以及平均囊泡评分降低。
• Arylalkyl and aryloxyalkyl phosphonates as antiviral agents
  申请人：Sterling Drug Inc.

  公开号：US04217346A1

  公开（公告）日：1980-08-12

  Arylalkyl and aryloxyalkylphosphonates, useful as antiviral agents, are prepared by reacting an arylalkyl or aryloxyalkyl halide with a trialkyl phosphite, or with an alkali metal salt of a dialkyl phosphonate, trialkyl phosphonoalkanoate or dialkyl phosphonoalkanone.

  芳基烷基和芳氧基烷基膦酸酯，作为抗病毒药物，通过将芳基烷基或芳氧基烷基卤化物与三烷基膦酸酯或二烷基膦酸酯、三烷基膦酸酯基丙酸酯或二烷基膦酸酯基丙酮的碱金属盐反应而制备。