1,3-二异丙基六氢嘧啶-5-羧酸乙酯 | 86236-76-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环丁烷
• 中文名称: 1,3-二异丙基六氢嘧啶-5-羧酸乙酯
• 英文名称: ethyl 1,3-diisopropylhexahydropyrimidine-5-carboxylate
• 英文别名: Ethyl 1,3-diisopropylhexahydro-pyrimidine-5-carboxylate；ethyl 1,3-di(propan-2-yl)-1,3-diazinane-5-carboxylate
• CAS: 86236-76-2
• 化学式: C₁₃H₂₆N₂O₂
• 分子量: 242.362
• InChiKey: AVFLYELZTOEIEL-UHFFFAOYSA-N

物化性质

• 沸点：
  288.5±40.0 °C(Predicted)
• 密度：
  0.981±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  32.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,3,5-三异丙基六氢-1,3,5-三嗪 、 丙二酸单乙酯 以42%的产率得到
  参考文献：
  名称：

  FUKAWA, HIDEMICHI;TERAO, YOSHIYASU;ACHIWA, KAZUO;SEKIYA, MINORU, CHEM. AND PHARM. BULL., 1983, 31, N 1, 94-99

  摘要：

  DOI：

文献信息

• Effect of aliphatic alcohols on the reaction of acetoacetic ester with formaldehyde and primary amines
  作者：E. R. Ishmiyarov、D. R. Latypova、L. V. Spirikhin、E. G. Galkin、S. P. Kuleshov、V. A. Dokichev

  DOI：10.1134/s1070363215040118

  日期：2015.4

  Composition of hemiacetals formed by the reaction of paraformaldehyde with aliphatic alcohols in the presence of catalytic amounts of Et3N was studied and the effect of the nature of hemiacetals on the yield and composition of the products of their condensation with acetoacetic ester and primary amines under the Mannich reaction conditions was examined.

  研究了在催化量的Et 3 N存在下，多聚甲醛与脂肪醇反应形成的半缩醛的组成，并研究了半缩醛的性质对其在乙酰乙酸酯和伯胺的作用下缩合产物的收率和组成的影响。检查了曼尼希反应条件。
• Fukawa, Hidemichi; Terao, Yoshiyasu; Achiwa, Kazuo, Chemical and pharmaceutical bulletin, 1983, vol. 31, # 1, p. 94 - 99
  作者：Fukawa, Hidemichi、Terao, Yoshiyasu、Achiwa, Kazuo、Sehiya, Minoru

  DOI：——

  日期：——
• Reaction of ethyl acetoacetate with formaldehyde and primary amines
  作者：D. R. Latypova、A. G. Badamshin、A. N. Lobov、V. A. Dokichev

  DOI：10.1134/s1070428013060079

  日期：2013.6

  The condensation of ethyl acetoacetate with formaldehyde and primary amines in methanol at 65A degrees C (Mannich reaction) gave up to 92% of hexahydropyrimidine derivatives containing ester and acetyl groups. Analogous reaction with aminopyridines stopped at the stage of formation of linear condensation products.