2-(乙氧基羰基甲氧基)苯甲酸乙酯 | 56424-77-2

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(乙氧基羰基甲氧基)苯甲酸乙酯
• 英文名称: ethyl 2-(2-ethoxy-2-oxoethoxy)benzoate
• CAS: 56424-77-2
• 化学式: C₁₃H₁₆O₅
• mdl: MFCD00151820
• 分子量: 252.267
• InChiKey: NIUVYKIVCCMXLR-UHFFFAOYSA-N

物化性质

• 沸点：
  180°C 4mm
• 闪点：
  180°C/4mm

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.384
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  2-(乙氧基羰基甲氧基)苯甲酸乙酯 在 盐酸 、 一水合肼 、 sodium nitrite 作用下， 生成 2-(phenylcarbamoyl-methoxy)-benzoic acid anilide
  参考文献：
  名称：

  Curtius, Journal fur praktische Chemie (Leipzig 1954), 1930, vol. <2> 125, p. 106,121

  摘要：

  DOI：
• 作为产物：
  描述：

  2-甲酰苯氧乙酸 在 四磷十氧化物 、 alkaline permanganate 、 copper(II) sulfate 、 sodium sulfate 作用下， 反应 4.0h， 生成 2-(乙氧基羰基甲氧基)苯甲酸乙酯
  参考文献：
  名称：

  Banerjee, Amalendu; Adak, Mohini Mohan; Das, Sankar, Journal of the Indian Chemical Society, 1987, vol. 64, # 1, p. 34 - 37

  摘要：

  DOI：

文献信息

• [EN] NOVEL COMPOUNDS AND THEIR USE IN THERAPY<br/>[FR] NOUVEAUX COMPOSÉS ET LEUR UTILISATION EN THÉRAPIE
  申请人：IMP INNOVATIONS LTD

  公开号：WO2013083991A1

  公开（公告）日：2013-06-13

  The invention provides compounds which inhibit N-myristoyltransferase and are selective for protozoal N-myristoyltransferase and, consequently suitable to treat microbial infections, including viral and fungal infections, and protozoan infections such as malaria, leishmaniasis and sleeping sickness.

  这项发明提供了抑制N-肉豆蔻酰基转移酶并且对原生动物N-肉豆蔻酰基转移酶具有选择性的化合物，因此适用于治疗微生物感染，包括病毒和真菌感染，以及疟疾、利什曼病和睡眠病等原生动物感染。
• [EN] TOPOISOMERASE INHIBITORS<br/>[FR] INHIBITEURS DE LA TOPOISOMERASE
  申请人：LATROBE UNIVERSITY

  公开号：WO1998045272A1

  公开（公告）日：1998-10-15

  (EN) The invention provides a novel series of tetracyclic quinoline and quinoxaline carboxamides, $i(bis) compounds in which two of the tetracyclic compounds are joined by a linker, and pharmaceutically-acceptable salts and N-oxides thereof, which have the ability to inhibit topoisomerase activity. The compounds are active $i(in vitro) and $i(in vivo) against tumour cells. Methods of synthesis and pharmaceutical compositions are also claimed.(FR) L'invention concerne une nouvelle série de carboxamides tétracycliques de la quinoline et de la quinoxaline, des composés $i(bis) dans lesquels deux des composés tétracycliques sont reliés par un élément de liaison, ainsi que leurs sels et leurs N-oxydes pharmaceutiquement acceptables, qui sont capables d'inhiber l'activité de la topoisomérase. Ces composés sont actifs $i(in vitro) et $i(in vivo) contre les cellules tumorales. L'invention concerne également des méthodes de synthèse et des compositions pharmaceutiques.

  该发明提供了一种新的四环喹啉和喹噁啉羧酰胺系列化合物，其中两个四环化合物通过连接剂连接形成双重化合物，以及其药学上可接受的盐和N-氧化物，具有抑制拓扑异构酶活性的能力。这些化合物对肿瘤细胞在体内外均具有活性。该发明还涉及合成方法和药学组合物。
• 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.
• Diastereo- and Enantioselective Propargylation of Benzofuranones Catalyzed by Pybox-Copper Complex
  作者：Long Zhao、Guanxin Huang、Beibei Guo、Lijun Xu、Jie Chen、Weiguo Cao、Gang Zhao、Xiaoyu Wu

  DOI：10.1021/ol502615y

  日期：2014.11.7

  Diastereo- and enantioselective preparation of 2,2-disubstituted benzofuran-3(2H)-one has been realized by a pybox-copper catalyzed reaction between 2-substituted benzofuran-3(2H)-one and propargyl acetate. The utility of this method was demonstrated by further transformation of the terminal alkyne into a methyl ketone without loss of enantiomeric purity.
• Discovery of Novel and Ligand-Efficient Inhibitors of Plasmodium falciparum and Plasmodium vivax<i>N</i>-Myristoyltransferase
  作者：Mark D. Rackham、James A. Brannigan、David K. Moss、Zhiyong Yu、Anthony J. Wilkinson、Anthony A. Holder、Edward W. Tate、Robin J. Leatherbarrow

  DOI：10.1021/jm301474t

  日期：2013.1.10

  N-Myristoyltransferase (NMT) is an attractive antiprotozoan drug target. A lead-hopping approach was utilized in the design and synthesis of novel benzo[b]thiophene-containing inhibitors of Plasmodium falciparum (Pf) and Plasmodium vivax (Pv) NMT. These inhibitors are selective against Homo sapiens NMT1 (HsNMT), have excellent ligand efficiency (LE), and display antiparasitic activity in vitro. The binding mode of this series was determined by crystallography and shows a novel binding mode for the benzothiophene ring.

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