methyl 6-bromo-4-oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylate | 1347754-59-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: methyl 6-bromo-4-oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylate
• 英文别名: methyl 6-bromo-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxylate
• CAS: 1347754-59-9
• 化学式: C₁₂H₁₁BrO₃
• 分子量: 283.122
• InChiKey: GJDQLHFGSIISHT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 6-bromo-4-oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylate 、 苯肼 在 溶剂黄146 作用下， 以52%的产率得到methyl 2-bromo-6,11-dihydro-5H-benzo[a]carbazole-5-carboxylate
  参考文献：
  名称：

  Design, synthesis and biological evaluation of substituted 11H-benzo[a]carbazole-5-carboxamides as novel antitumor agents

  摘要：

  A series of novel 11H-benzo[a]carbazole-5-carboxamide derivatives were designed, synthesized and evaluated for their antitumor activity against human cancer A549 and HCT-116 cell lines. Most of the compounds showed potent antitumor activities, and compound 8 displayed remarkable in vitro and in vivo anticancer activity comparable to that of amonafide. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.09.050
• 作为产物：
  描述：

  甲醇 、 7-bromo-4-hydroxycarbonyltetralone 在 对甲苯磺酸 作用下， 反应 4.0h， 以86%的产率得到methyl 6-bromo-4-oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylate
  参考文献：
  名称：

  Design, synthesis and biological evaluation of substituted 11H-benzo[a]carbazole-5-carboxamides as novel antitumor agents

  摘要：

  A series of novel 11H-benzo[a]carbazole-5-carboxamide derivatives were designed, synthesized and evaluated for their antitumor activity against human cancer A549 and HCT-116 cell lines. Most of the compounds showed potent antitumor activities, and compound 8 displayed remarkable in vitro and in vivo anticancer activity comparable to that of amonafide. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.09.050