(+/-)-ethyl methyl isopropyl phosphate | 62217-78-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磷酸及其衍生物
• 英文名称: (+/-)-ethyl methyl isopropyl phosphate
• 英文别名: phosphoric acid ethyl ester isopropyl ester methyl ester；Ethyl methyl propan-2-yl phosphate
• CAS: 62217-78-1
• 化学式: C₆H₁₅O₄P
• 分子量: 182.156
• InChiKey: RSVFCXFHYGCMFA-UHFFFAOYSA-N

物化性质

• 沸点：
  206.1±8.0 °C(Predicted)
• 密度：
  1.064±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  11.0
• 可旋转键数：
  5.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  44.76
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  (+/-)-ethyl methyl chlorophosphate 、 异丙醇 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 以75%的产率得到(+/-)-ethyl methyl isopropyl phosphate
  参考文献：
  名称：

  Stereochemical consequences of the use of chiral N-phosphoryl oxazolidinones in the attempted kinetic resolution of bromomagnesium alkoxides

  摘要：

  A number of chiral N-phosphoryl oxazolidinones have been prepared and evaluated as asymmetric phosphoryl transfer agents with the magnesium alkoxide of 1-phenyl ethanol. The reaction proceeded with little stereo selection, which was shown to be a consequence of the reaction mechanism that occurs with inversion of configuration at phosphorus consistent with in-line attack opposite the leaving group. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2005.08.025

文献信息

• Stereospecific halogenation of ethyl methyl phosphorothioic acid
  作者：Richard Hall、Nancy E. Williams

  DOI：10.1016/s0040-4039(00)87004-5

  日期：1982.1

  Tetramethyl-α-halogenoenamines are useful reagents for the stereospecific conversion of phosphorothioic acids to the corresponding phosphoryl halides.

  四甲基-α-卤代烯胺是有用的试剂，用于将硫代磷酸立体定向转化为相应的磷酰卤。
• A general transesterification method for the synthesis of mixed trialkyl phosphates
  作者：Kelvin K. Ogilvie、Serge L. Beaucage、Nicole Theriault、Douglas W. Entwistle

  DOI：10.1021/ja00446a057

  日期：1977.2
• Hall, C. Richard; Inch, Thomas D.; Williams, Nancy E., Phosphorus and Sulfur and the Related Elements, 1983, vol. 18, p. 213 - 216
  作者：Hall, C. Richard、Inch, Thomas D.、Williams, Nancy E.

  DOI：——

  日期：——
• Stereochemical consequences of the use of chiral N-phosphoryl oxazolidinones in the attempted kinetic resolution of bromomagnesium alkoxides
  作者：Simon Jones、Dimitrios Selitsianos

  DOI：10.1016/j.tetasy.2005.08.025

  日期：2005.9

  A number of chiral N-phosphoryl oxazolidinones have been prepared and evaluated as asymmetric phosphoryl transfer agents with the magnesium alkoxide of 1-phenyl ethanol. The reaction proceeded with little stereo selection, which was shown to be a consequence of the reaction mechanism that occurs with inversion of configuration at phosphorus consistent with in-line attack opposite the leaving group. (C) 2005 Elsevier Ltd. All rights reserved.