1-deuterio-2,2-dimethylpropane-1,3-diol | 344948-08-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-deuterio-2,2-dimethylpropane-1,3-diol
• CAS: 344948-08-9
• 化学式: C₅H₁₂O₂
• 分子量: 105.141
• InChiKey: SLCVBVWXLSEKPL-WFVSFCRTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.0
• 重原子数：
  7.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.46
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-deuterio-2,2-dimethylpropane-1,3-diol 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 生成 lithium;3-deuterio-3-hydroxy-2,2-dimethylpropan-1-olate 、 lithium;1-deuterio-3-hydroxy-2,2-dimethylpropan-1-olate
  参考文献：
  名称：

  Monoalcoholates of 1,3-diols as effective catalysts in the Tishchenko esterification of 1,3-dioxan-4-ols

  摘要：

  Alkali metal monoalcoholates of 1,3-diols can be used as very effective catalysts in the Tishchenko reaction of 4-hydroxy-1,3-dioxanes to the corresponding monoesters of 1,3-diols. These catalysts are extremely efficient and fast compared to metal hydroxides commonly used. Thus, monoalcoholate catalysts give fast transesterification with the product ester. The loss in yield due to ester interchange can be minimized by using a suitable 1,3-diol moiety in the catalyst. (C) 2001 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(01)00277-5
• 作为产物：
  描述：

  2,2-二甲基-3-羟基丙醛 在 lithium aluminium deuteride 作用下， 以 四氢呋喃 为溶剂， 反应 1.5h， 以70%的产率得到1-deuterio-2,2-dimethylpropane-1,3-diol
  参考文献：
  名称：

  Monoalcoholates of 1,3-diols as effective catalysts in the Tishchenko esterification of 1,3-dioxan-4-ols

  摘要：

  Alkali metal monoalcoholates of 1,3-diols can be used as very effective catalysts in the Tishchenko reaction of 4-hydroxy-1,3-dioxanes to the corresponding monoesters of 1,3-diols. These catalysts are extremely efficient and fast compared to metal hydroxides commonly used. Thus, monoalcoholate catalysts give fast transesterification with the product ester. The loss in yield due to ester interchange can be minimized by using a suitable 1,3-diol moiety in the catalyst. (C) 2001 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(01)00277-5