5-(4-chlorophenyl)-8-(diethylamino)-4-imino-3-methyl-3,4-dihydro-5H-chromeno-[2,3-d]pyrimidine | 1269625-11-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-(4-chlorophenyl)-8-(diethylamino)-4-imino-3-methyl-3,4-dihydro-5H-chromeno-[2,3-d]pyrimidine
• 英文别名: 5-(4-chlorophenyl)-N,N-diethyl-4-imino-3-methyl-5H-chromeno[2,3-d]pyrimidin-8-amine
• CAS: 1269625-11-7
• 化学式: C₂₂H₂₃ClN₄O
• 分子量: 394.904
• InChiKey: HFQWFHDJXVCCBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  51.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-(4-chlorophenyl)-7-(diethylamino)-2-ethoxymethyleneamino-4H-chromene-3-carbonitrile 、 甲胺 以 乙醇 为溶剂， 反应 1.0h， 以83%的产率得到5-(4-chlorophenyl)-8-(diethylamino)-4-imino-3-methyl-3,4-dihydro-5H-chromeno-[2,3-d]pyrimidine
  参考文献：
  名称：

  Synthesis of 4H-chromene, coumarin, 12H-chromeno[2,3-d]pyrimidine derivatives and some of their antimicrobial and cytotoxicity activities

  摘要：

  Condensation of 3-N,N-diethylaminophenol (1) with alpha-cyanocinnamonitriles (2a-c) and ethyl alpha-cyanocinnamates (2d-f) provided compounds 3a-f and 4a-c. 12H-Chromeno[2,3-d]pyrimidine derivatives 6,11-13 and 16 were obtained by treatment of 4H-chromene compounds (3) with different electrophiles followed by nucleophilic reagents. Structures of these compounds were established on the basis of IR, UV, H-1 NMR, C-13 NMR and MS data. Some of the new compounds were evaluated for antimicrobial and cytotoxicity activities. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.12.015

文献信息

• Synthesis of 4H-chromene, coumarin, 12H-chromeno[2,3-d]pyrimidine derivatives and some of their antimicrobial and cytotoxicity activities
  作者：Nermien M. Sabry、Hany M. Mohamed、Essam Shawky A.E.H. Khattab、Shymaa S. Motlaq、Ahmed M. El-Agrody

  DOI：10.1016/j.ejmech.2010.12.015

  日期：2011.2

  Condensation of 3-N,N-diethylaminophenol (1) with alpha-cyanocinnamonitriles (2a-c) and ethyl alpha-cyanocinnamates (2d-f) provided compounds 3a-f and 4a-c. 12H-Chromeno[2,3-d]pyrimidine derivatives 6,11-13 and 16 were obtained by treatment of 4H-chromene compounds (3) with different electrophiles followed by nucleophilic reagents. Structures of these compounds were established on the basis of IR, UV, H-1 NMR, C-13 NMR and MS data. Some of the new compounds were evaluated for antimicrobial and cytotoxicity activities. (C) 2010 Elsevier Masson SAS. All rights reserved.