(S)-1-(Hydroxymethyl)propylammonium hydrogen (R-(R*,R*))-tartrate | 26293-35-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (S)-1-(Hydroxymethyl)propylammonium hydrogen (R-(R*,R*))-tartrate
• 英文别名: [(2R)-1-hydroxybutan-2-yl]azanium;(2S,3S)-2,3,4-trihydroxy-4-oxobutanoate
• CAS: 26293-35-6
• 化学式: C₄H₆O₆*C₄H₁₁NO
• 分子量: 239.225
• InChiKey: ZMEGDKGDGOQGDK-JZGORXRRSA-N

物化性质

• 熔点：
  143-144 °C

计算性质

• 辛醇/水分配系数(LogP)：
  -2.41
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  161
• 氢给体数：
  6
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (S)-1-(Hydroxymethyl)propylammonium hydrogen (R-(R*,R*))-tartrate 在 calcium hydroxide 作用下， 以 水 为溶剂， 生成 2-氨基丁醇
  参考文献：
  名称：

  A Mild and Highly Efficient Synthesis of ChiralN-Dichloroacetyl-4-ethyl-1,3-oxazolidines

  摘要：

  Chiral 2‐amino‐butanols (4 and 5) were obtained via the isolation of diastereomeric salt. Then, chiral compounds (6–9) were synthesized by a sequential procedure involving condensation of chiral 2‐amino‐butanol with ketone and dichloroacetyl chloride. All the compounds were characterized by IR, 1H NMR, 13C NMR, and element analysis. The absolute configurations of (S)‐8 was determined by X‐ray crystallography.

  DOI：

  10.1002/jhet.886
• 作为产物：
  描述：

  2-氨基-1-丁醇 、 D-酒石酸 以 水 为溶剂， 反应 24.0h， 生成 (S)-1-(Hydroxymethyl)propylammonium hydrogen (R-(R*,R*))-tartrate
  参考文献：
  名称：

  A Mild and Highly Efficient Synthesis of ChiralN-Dichloroacetyl-4-ethyl-1,3-oxazolidines

  摘要：

  Chiral 2‐amino‐butanols (4 and 5) were obtained via the isolation of diastereomeric salt. Then, chiral compounds (6–9) were synthesized by a sequential procedure involving condensation of chiral 2‐amino‐butanol with ketone and dichloroacetyl chloride. All the compounds were characterized by IR, 1H NMR, 13C NMR, and element analysis. The absolute configurations of (S)‐8 was determined by X‐ray crystallography.

  DOI：

  10.1002/jhet.886