ethyl N-[4-(4-bromophenyl)-6-chloro-3-cyano-4H-benzo[h]chromen-2-yl]methanimidate | 496855-10-8

• 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: ethyl N-[4-(4-bromophenyl)-6-chloro-3-cyano-4H-benzo[h]chromen-2-yl]methanimidate
• CAS: 496855-10-8
• 化学式: C₂₃H₁₆BrClN₂O₂
• 分子量: 467.749
• InChiKey: MXWTWMUCXCKLRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.58
• 重原子数：
  29.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  54.61
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  ethyl N-[4-(4-bromophenyl)-6-chloro-3-cyano-4H-benzo[h]chromen-2-yl]methanimidate 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 0.75h， 以85%的产率得到11-(4-Bromophenyl)-8-chloro-13-imino-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-amine
  参考文献：
  名称：

  Synthesis of halogen derivatives of benzo[h]chromene and benzo[a]anthracene with promising antimicrobial activities

  摘要：

  The synthesis of novel 7-(4-halophenyl)-8,9-dihydro-7H-12-oxa-9,11-diaza-benzo[a]anthracene derivatives has been reported. The key intermediate 3-amino-9-chloro-1-(4-halophenyl)-1H-benzo[h]chromene-2-carbonitrile (3) was obtained by treating 4-halobenzylidenmalononitriles (la-c) and ethyl 4-halobenzylidenmalonates (1d-f) with 4-chloro-1-naphthol (2) in ethanolic piperidine solution. Antimicrobial activity was shown for most of the synthesized compounds. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0014-827x(02)01263-6
• 作为产物：
  描述：

  2-(benzylideneamino)-4-(4-bromophenyl)-6-chloro-4H-benzo[h]chromene-3-carbonitrile 在 乙酸酐 、 一水合肼 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成 ethyl N-[4-(4-bromophenyl)-6-chloro-3-cyano-4H-benzo[h]chromen-2-yl]methanimidate
  参考文献：
  名称：

  Synthesis of halogen derivatives of benzo[h]chromene and benzo[a]anthracene with promising antimicrobial activities

  摘要：

  The synthesis of novel 7-(4-halophenyl)-8,9-dihydro-7H-12-oxa-9,11-diaza-benzo[a]anthracene derivatives has been reported. The key intermediate 3-amino-9-chloro-1-(4-halophenyl)-1H-benzo[h]chromene-2-carbonitrile (3) was obtained by treating 4-halobenzylidenmalononitriles (la-c) and ethyl 4-halobenzylidenmalonates (1d-f) with 4-chloro-1-naphthol (2) in ethanolic piperidine solution. Antimicrobial activity was shown for most of the synthesized compounds. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0014-827x(02)01263-6