diethyl 2-(5-cyclohexyl-3-oxo-1,3-dihydro-2H-indol-2-ylidene)malonate | 446064-58-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: diethyl 2-(5-cyclohexyl-3-oxo-1,3-dihydro-2H-indol-2-ylidene)malonate
• CAS: 446064-58-0
• 化学式: C₂₁H₂₅NO₅
• 分子量: 371.433
• InChiKey: QBMBZQQDTDWKRW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.72
• 重原子数：
  27.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  81.7
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  diethyl 2-(5-cyclohexyl-3-oxo-1,3-dihydro-2H-indol-2-ylidene)malonate 在 sodium hydroxide 、 水 作用下， 以 乙醇 为溶剂， 反应 8.0h， 生成 2-(4-Bromo-phenyl)-8-cyclohexyl-3-oxo-3,5-dihydro-2H-pyridazino[4,3-b]indole-4-carboxylic acid
  参考文献：
  名称：

  Synthesis and antibacterial activity of pyridazino[4,3-b]indole-4-carboxylic acids carrying different substituents at N-2

  摘要：

  The synthesis and the in vitro evaluation of antibacterial activity of new pyridazino[4,3-b]indole-4-carboxylic acids 2-4, 6 against some selected representative of Gram-positive and Gram-negative bacteria are reported. The role of the lipophilicity in the modulation of the antibacterial activity of the tested compounds is discussed. All the synthesized compounds appear quite weak against Gram-positive bacteria, whereas have no significant activity against Gram-negative bacteria. Only derivative 2g possesses an interesting activity against Gram-positive bacteria. (C) 2002 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(01)01173-9
• 作为产物：
  描述：

  4-环己苯胺 在 盐酸 、 甲烷磺酸 、 五氯化磷 、 sodium sulfate 作用下， 以 1,4-二氧六环 、 苯 为溶剂， 反应 3.25h， 生成 diethyl 2-(5-cyclohexyl-3-oxo-1,3-dihydro-2H-indol-2-ylidene)malonate
  参考文献：
  名称：

  Synthesis and antibacterial activity of pyridazino[4,3-b]indole-4-carboxylic acids carrying different substituents at N-2

  摘要：

  The synthesis and the in vitro evaluation of antibacterial activity of new pyridazino[4,3-b]indole-4-carboxylic acids 2-4, 6 against some selected representative of Gram-positive and Gram-negative bacteria are reported. The role of the lipophilicity in the modulation of the antibacterial activity of the tested compounds is discussed. All the synthesized compounds appear quite weak against Gram-positive bacteria, whereas have no significant activity against Gram-negative bacteria. Only derivative 2g possesses an interesting activity against Gram-positive bacteria. (C) 2002 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(01)01173-9