dimethyl 2-(1-tert-butylcarbamoyl-1-methyl-ethyl)-malonate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: dimethyl 2-(1-tert-butylcarbamoyl-1-methyl-ethyl)-malonate
• 英文别名: Dimethyl 2-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]propanedioate
• 化学式: C₁₃H₂₃NO₅
• 分子量: 273.329
• InChiKey: BLUXRYLIWXJLQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  81.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  甲醇 、 2,2-二甲基-5-(1-甲基亚乙基)-1,3-二噁烷-4,6-二酮 、 异氰酸叔丁酯 以 二氯甲烷 为溶剂， 反应 24.0h， 生成 methyl 1-tert-butyl-4,4-dimethyl-2,5-dioxo-pyrrolidine-3-carboxylate 、 dimethyl 2-(1-tert-butylcarbamoyl-1-methyl-ethyl)-malonate
  参考文献：
  名称：

  New Synthesis of Alkyl 1-tert-Butyl-4,4-dimethyl-2,5-dioxo-pyrrolidine-3-carboxylate and Dialkyl 2-(1-tert-Butylcarbamoyl-1- methyl-ethyl)-malonates

  摘要：

  5-Isopropylidene-2,2-dimethyl-1,3-dioxane-4,6-dione (the condensation product of Meldrum's acid and acetone) reacts smoothly with tert-butyl isocyanide in the presence of alcohols-to produce alkyl 1-tert-butyl-4,4-dimethyl-2,5-dioxo-pyrrolidine-3-carboxylate and dialkyl 2-(1-tert-butylcarbamoyl-1-methyl-ethyl)-malonates in good overall yields.

  DOI：

  10.1081/scc-120021994

文献信息

• New Synthesis of Alkyl 1-<i>tert</i>-Butyl-4,4-dimethyl-2,5-dioxo-pyrrolidine-3-carboxylate and Dialkyl 2-(1-<i>tert</i>-Butylcarbamoyl-1- methyl-ethyl)-malonates
  作者：Issa Yavari、Mohammad R. Hosseini-Tabatabaei、Azizollah Habibi

  DOI：10.1081/scc-120021994

  日期：2003.1.8

  5-Isopropylidene-2,2-dimethyl-1,3-dioxane-4,6-dione (the condensation product of Meldrum's acid and acetone) reacts smoothly with tert-butyl isocyanide in the presence of alcohols-to produce alkyl 1-tert-butyl-4,4-dimethyl-2,5-dioxo-pyrrolidine-3-carboxylate and dialkyl 2-(1-tert-butylcarbamoyl-1-methyl-ethyl)-malonates in good overall yields.