1-benzyl-2,3-dihydro-2-imino-3-isopropylquinazolin-4(1H)-one | 1380589-61-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 1-benzyl-2,3-dihydro-2-imino-3-isopropylquinazolin-4(1H)-one
• 英文别名: 1-Benzyl-2-imino-3-propan-2-ylquinazolin-4-one；1-benzyl-2-imino-3-propan-2-ylquinazolin-4-one
• CAS: 1380589-61-6
• 化学式: C₁₈H₁₉N₃O
• 分子量: 293.368
• InChiKey: JUMJADYDDXVTIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  47.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-苄基靛红酸酐 在 potassium carbonate 、 二甲基亚砜 、 1,3-bis-n-butylimidazolium bromide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.75h， 生成 1-benzyl-2,3-dihydro-2-imino-3-isopropylquinazolin-4(1H)-one
  参考文献：
  名称：

  A facile IL–DMSO assisted synthesis of 5-, 6-, and 7-membered benzo-annelated cyclic guanidines

  摘要：

  A new and facile IL-DMSO assisted method has been developed for the synthesis of biologically important cyclic guanidines like 2-aminobenzimidazole, 2-imino-4-quinazolinone, and 2-imino-5-benzotriazepinones at ambient temperatures. The desired products could be obtained by microwave irradiation(32) also, but at elevated temperatures. A plausible mechanism for catalysis has been proposed. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.03.060

文献信息

• A facile IL–DMSO assisted synthesis of 5-, 6-, and 7-membered benzo-annelated cyclic guanidines
  作者：Amit Verma、Rajani Giridhar、Pratik Modh、Mange Ram Yadav

  DOI：10.1016/j.tetlet.2012.03.060

  日期：2012.6

  A new and facile IL-DMSO assisted method has been developed for the synthesis of biologically important cyclic guanidines like 2-aminobenzimidazole, 2-imino-4-quinazolinone, and 2-imino-5-benzotriazepinones at ambient temperatures. The desired products could be obtained by microwave irradiation(32) also, but at elevated temperatures. A plausible mechanism for catalysis has been proposed. (C) 2012 Elsevier Ltd. All rights reserved.