sodium 1-hydroxy-2-methylbutane-1-sulfonate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: sodium 1-hydroxy-2-methylbutane-1-sulfonate
• 化学式: C₅H₁₁O₄S*Na
• 分子量: 190.196
• InChiKey: QPKOCQUSDFVJCJ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.1
• 重原子数：
  11.0
• 可旋转键数：
  3.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  77.43
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  2-甲基丁醛 在 sodium hydrogensulfite 作用下， 以 乙醇 、 水 为溶剂， 反应 24.0h， 生成 sodium 1-hydroxy-2-methylbutane-1-sulfonate
  参考文献：
  名称：

  Counterion effects in the preparation of aldehyde–bisulfite adducts

  摘要：

  The identification and development of an aldehyde-bisulfite adduct as an isolable starting material in the synthesis of the CETP inhibitor Evacetrapib are described. The physical properties of the sodium and potassium analogs are compared, and the extension of the scope of this study to include an investigation into the solid state properties of a range of sodium and potassium bisulfite adducts of commonly encountered aldehydes is discussed. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.09.105

文献信息

• Counterion effects in the preparation of aldehyde–bisulfite adducts
  作者：Marie G. Kissane、Scott A. Frank、Gregory A. Rener、Christopher P. Ley、Charles A. Alt、Paul A. Stroud、Radhe K. Vaid、Sathish K. Boini、Laura A. McKee、Jeffrey T. Vicenzi、Gregory A. Stephenson

  DOI：10.1016/j.tetlet.2013.09.105

  日期：2013.11

  The identification and development of an aldehyde-bisulfite adduct as an isolable starting material in the synthesis of the CETP inhibitor Evacetrapib are described. The physical properties of the sodium and potassium analogs are compared, and the extension of the scope of this study to include an investigation into the solid state properties of a range of sodium and potassium bisulfite adducts of commonly encountered aldehydes is discussed. (C) 2013 Elsevier Ltd. All rights reserved.