ethyl 2-ethoxycarbonylmethoxy-5-methoxy benzoate | 244124-23-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl 2-ethoxycarbonylmethoxy-5-methoxy benzoate
• 英文别名: O-Carbethoxymethyl-5-methoxysalicylsaeure-ethylester；Ethyl 2-(2-ethoxy-2-oxoethoxy)-5-methoxybenzoate
• CAS: 244124-23-0
• 化学式: C₁₄H₁₈O₆
• 分子量: 282.293
• InChiKey: AWNDEXZBPCVRGW-UHFFFAOYSA-N

物化性质

• 沸点：
  391.2±27.0 °C(Predicted)
• 密度：
  1.152±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  20
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  ethyl 2-ethoxycarbonylmethoxy-5-methoxy benzoate 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 反应 3.0h， 生成 2-(羧基甲氧基)-5-甲氧基苯甲酸
  参考文献：
  名称：

  Synthesis, antibacterial activity, and quantitative structure–activity relationships of new (Z)-2-(nitroimidazolylmethylene)-3()-benzofuranone derivatives

  摘要：

  A new series of (Z)-2-(1-methyl-5-nitroimidazole-2-ylmethylene)-3(2H)-benzofuranones (11a-p) and (Z)-2-(1-methyl-4-nitroimidazole-5-ylmethylene)-3(2H)-benzofuranones (12a-m) were synthesized and assayed for their antibacterial activity against Gram-positive and Gram-negative bacteria. Most of the 5-nitroimidazole analogues (11a-p) showed a remarkable inhibition of a wide spectrum of Gram-positive bacteria (Staphylococcus aureus, Streptococcus epidermidis, MRSA, and Bacillus subtilis) and Gram-negative Klebsiella pneumoniae, whereas 4-nitroimidazole analogues (12a-m) were not effective against selected bacteria. The quantitative structure-activity relationship investigations were applied to find out the correlation between the experimentally evaluated activities with various parameters of the compounds studied. The QSAR models built in this work had reasonable predictive power and could be explained by the observed trends in activities. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.062
• 作为产物：
  描述：

  2-羟基-5-甲氧基苯甲酸乙酯 、 溴乙酸 在 sodium chloride 、 potassium carbonate 作用下， 以 正己烷 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 以89.4%的产率得到ethyl 2-ethoxycarbonylmethoxy-5-methoxy benzoate
  参考文献：
  名称：

  1,2-dioxetane derivative

  摘要：

  本发明旨在提供一种化合物，不仅易于处理、热稳定且发射效率高，而且即使在质子溶剂中也能在系统中不需要共存增效剂的情况下表现出高的发射效率。本发明涉及一种通式（I）的1,2-二噁烷衍生物。【其中，R1、R2、R3、R4和R5各自独立地表示氢、烷基或芳基；R2和R3的一对以及R4和R5的一对可以分别连接在一起形成环烷基基团。】

  公开号：

  US06218135B1

文献信息

• CAGNIANT P.; KIRSCH G., C. R. ACAD. SCI <CHDC-AQ>, 1976, C 282, NO 21, 993-996
  作者：CAGNIANT P.、 KIRSCH G.

  DOI：——

  日期：——
• US6218135B1
  申请人：——

  公开号：US6218135B1

  公开（公告）日：2001-04-17
• Synthesis, antibacterial activity, and quantitative structure–activity relationships of new (Z)-2-(nitroimidazolylmethylene)-3()-benzofuranone derivatives
  作者：Narges Hadj-esfandiari、Latifeh Navidpour、Hooman Shadnia、Mohsen Amini、Nasrin Samadi、Mohammad Ali Faramarzi、Abbas Shafiee

  DOI：10.1016/j.bmcl.2007.09.062

  日期：2007.11

  A new series of (Z)-2-(1-methyl-5-nitroimidazole-2-ylmethylene)-3(2H)-benzofuranones (11a-p) and (Z)-2-(1-methyl-4-nitroimidazole-5-ylmethylene)-3(2H)-benzofuranones (12a-m) were synthesized and assayed for their antibacterial activity against Gram-positive and Gram-negative bacteria. Most of the 5-nitroimidazole analogues (11a-p) showed a remarkable inhibition of a wide spectrum of Gram-positive bacteria (Staphylococcus aureus, Streptococcus epidermidis, MRSA, and Bacillus subtilis) and Gram-negative Klebsiella pneumoniae, whereas 4-nitroimidazole analogues (12a-m) were not effective against selected bacteria. The quantitative structure-activity relationship investigations were applied to find out the correlation between the experimentally evaluated activities with various parameters of the compounds studied. The QSAR models built in this work had reasonable predictive power and could be explained by the observed trends in activities. (C) 2007 Elsevier Ltd. All rights reserved.
• 1,2-dioxetane derivative
  申请人：Matsumoto Masakatsu

  公开号：US06218135B1

  公开（公告）日：2001-04-17

  The present invention has its objects to provide a compound not only which is easy to handle, thermally stable, and high in emission efficiency, but also which can show high emission efficiency without coexisting enhancer in the system even in a protic solvent. The present invention is related to a 1,2-dioxetane derivative of general formula (I). [wherein R1, R2, R3, R4 and R5 each independently represents hydrogen, alkyl or aryl; a pair of R2 and R3 and a pair of R4 and R5 may respectively be joined to each other to form a cycloalkyl group.

  本发明旨在提供一种化合物，不仅易于处理、热稳定且发射效率高，而且即使在质子溶剂中也能在系统中不需要共存增效剂的情况下表现出高的发射效率。本发明涉及一种通式（I）的1,2-二噁烷衍生物。【其中，R1、R2、R3、R4和R5各自独立地表示氢、烷基或芳基；R2和R3的一对以及R4和R5的一对可以分别连接在一起形成环烷基基团。】