3-(Acetyloxy)-2,2-dimethylpropyl 3-(acetyloxy)-2,2-dimethylpropanoate | 63191-55-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3-(Acetyloxy)-2,2-dimethylpropyl 3-(acetyloxy)-2,2-dimethylpropanoate
• 英文别名: (3-acetyloxy-2,2-dimethylpropyl) 3-acetyloxy-2,2-dimethylpropanoate
• CAS: 63191-55-9
• 化学式: C₁₄H₂₄O₆
• 分子量: 288.341
• InChiKey: QBNSXQYLNROMPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.71
• 重原子数：
  20.0
• 可旋转键数：
  7.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  78.9
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  2,2-二甲基-3-羟基丙醛 、 乙酸酐 110.0 ℃ 、25.0 kPa 条件下， 反应 1.0h， 以55.8 g的产率得到3-acetoxy-2,2-dimethylpropanal
  参考文献：
  名称：

  PROCESS FOR PRODUCING 2,2-DIALKYL-3-ACYLOXYPROPANALS

  摘要：

  A process for preparing an aldol ester of the formula (I), wherein at least one carboxylic anhydride of the formula (II) is reacted with at least one aldol of the formula (III) with heating in the presence of a basic catalyst with a pKa of the conjugate acid of at least 8, and the reaction product obtained from the process. The process provides a light-coloured and low-odour reaction product which has a high content of aldol ester content of the formula (I) and can be used, without elaborate purification steps, particularly without overhead distillation of the aldol ester, as a blocking agent for primary amines. The resultant blocked amines have a long storage life together with polymers containing isocyanate groups, and cure rapidly and reliably on contact with moisture to form mechanically high-grade and robust elastomers.

  公开号：

  US20220144746A1