2-benzylideneamino-4-(4-chlorophenyl)-7-(diethylamino)-4H-chromene-3-carbonitrile | 1269625-07-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 新黄酮类化合物
• 英文名称: 2-benzylideneamino-4-(4-chlorophenyl)-7-(diethylamino)-4H-chromene-3-carbonitrile
• 英文别名: 2-(benzylideneamino)-4-(4-chlorophenyl)-7-(diethylamino)-4H-chromene-3-carbonitrile
• CAS: 1269625-07-1
• 化学式: C₂₇H₂₄ClN₃O
• 分子量: 441.96
• InChiKey: XQUYXAHOGIAKHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.56
• 重原子数：
  32.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  48.62
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-benzylideneamino-4-(4-chlorophenyl)-7-(diethylamino)-4H-chromene-3-carbonitrile 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 2.5h， 生成 2-diacetylamino-4-(4-chlorophenyl)-7-(diethylamino)-4H-chromene-3-carbonitrile
  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
• 作为产物：
  描述：

  2-amino-4-(4-chlorophenyl)-7-(diethylamino)-4H-chromene-3-carbonitrile 、 苯甲醛 在 哌啶 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以85%的产率得到2-benzylideneamino-4-(4-chlorophenyl)-7-(diethylamino)-4H-chromene-3-carbonitrile
  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