isoamyl methyl methylphosphonate | 13829-88-4

• 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: isoamyl methyl methylphosphonate
• 英文别名: Methylphosphonic acid, 3-methyl-1-butyl, methyl ester；1-[methoxy(methyl)phosphoryl]oxy-3-methylbutane
• CAS: 13829-88-4
• 化学式: C₇H₁₇O₃P
• 分子量: 180.184
• InChiKey: QCVGEMUTTZNUGZ-UHFFFAOYSA-N

物化性质

• 熔点：
  103-103.5 °C
• 沸点：
  103-103.5 °C(Press: 11 Torr)
• 密度：
  0.993±0.06 g/cm3(Predicted)
• 保留指数：
  697;697

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  methylphosphonic acid mono(2-methylbutyl) ester 、 三甲基硅烷化重氮甲烷 在 甲醇 作用下， 以 四氢呋喃 、 苯 为溶剂， 生成 isoamyl methyl methylphosphonate
  参考文献：
  名称：

  PREPARATION, DERIVATIZATION WITH TRIMETHYLSILYLDIAZOMETHANE, AND GC/MS ANALYSIS OF A “POOL” OF ALKYL METHYLPHOSPHONIC ACIDS FOR USE AS QUALITATIVE STANDARDS IN SUPPORT OF COUNTERTERRORISM AND THE CHEMICAL WEAPONS CONVENTION

  摘要：

  There are hundreds of nerve agents in the class of alkyl methylphosphonofluoridates covered by Schedule 1 of the CWC (Chemical Weapons Convention). Hydrolysis of these sarin-like nerve agents results in all equal number of alkyl methylphosphonic acids. These allkyl methylphosphonic acids are persistent and provide good evidence of specific agent production or use. In order to support the CWC and counterterrorism activities, it is desirable to have ready access to each of these hydrolysis products for use as qualitative standards. A means for simultaneously producing multiple alkyl methylphosphonates from methylphosphonic acid and the corresponding alcohols was developed. Derivatization of these alkyl methylphosphonic acids with trimethylsilyldiazomethane yields the corresponding methyl esters which are suitable for GC/MS analysis.

  DOI：

  10.1080/10426500490459632

文献信息

• Cathode-catalyzed transesterification of alkylphosphonates
  作者：M. E. Niyazymbetov、B. Kostizella、I. Keitel、K. H. Schwartz

  DOI：10.1007/bf00959658

  日期：1991.1

  The cathodic electrolysis of aliphatic alcohols and alkylphosphonates in acetonitrile with 0.5 N Et4NClO4 as the base electrolyte leads to mono- and ditransesterified phosphonates. The yield and ratio of these products is a function of the nature of the starting reagents and amount of current passed.