Phosphinecarboxylic acid, dihydroxy-, 1-methylethyl ester, oxide | 72305-02-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: Phosphinecarboxylic acid, dihydroxy-, 1-methylethyl ester, oxide
• 英文别名: propan-2-yloxycarbonylphosphonic acid
• CAS: 72305-02-3
• 化学式: C₄H₉O₅P
• 分子量: 168.086
• InChiKey: PQUZYLCCYGSNMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  磷羧基甲酸三甲酯 、 异丙醇 在 三甲基氯硅烷 、 sodium hydride 、 三甲基溴硅烷 作用下， 反应 18.0h， 生成 Phosphinecarboxylic acid, dihydroxy-, 1-methylethyl ester, oxide
  参考文献：
  名称：

  The Synthesis and Antiherpetic Activity of Acyclovir Phosphonate Esters

  摘要：

  Alkyl esters of acyclovir phosphite, alkoxycarbonylphosphonate, ethoxycarbonylmethylphosphonate, and aminocarbonylphosphonate were synthesized. Most of them were shown to inhibit the replication of type I herpes simplex virus in Vero cell culture. The stability in phosphate buffer and human blood serum was studied for several of the derivatives. A correlation between the stability and antiviral activity of the synthesized compounds is discussed.

  DOI：

  10.1023/b:rubi.0000049770.51092.76

文献信息

• The Synthesis and Antiherpetic Activity of Acyclovir Phosphonate Esters
  作者：M. V. Jasko、N. Yu. Ulanova、V. L. Andronova、A. V. Ivanov、I. L. Karpenko、M. K. Kukhanova、G. A. Galegov、Yu. S. Skoblov

  DOI：10.1023/b:rubi.0000049770.51092.76

  日期：2004.11

  Alkyl esters of acyclovir phosphite, alkoxycarbonylphosphonate, ethoxycarbonylmethylphosphonate, and aminocarbonylphosphonate were synthesized. Most of them were shown to inhibit the replication of type I herpes simplex virus in Vero cell culture. The stability in phosphate buffer and human blood serum was studied for several of the derivatives. A correlation between the stability and antiviral activity of the synthesized compounds is discussed.