2-Methyl-1-nitro-3-(2'-oxopropyloxy)benzene | 187267-85-2

• 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: 2-Methyl-1-nitro-3-(2'-oxopropyloxy)benzene
• 英文别名: 1-(2-Methyl-3-nitrophenoxy)propan-2-one
• CAS: 187267-85-2
• 化学式: C₁₀H₁₁NO₄
• 分子量: 209.202
• InChiKey: CFGUJLCAAVAALN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Methyl-1-nitro-3-(2'-oxopropyloxy)benzene 在 sodium ethanolate 作用下， 以 乙醇 、 苯 为溶剂， 反应 18.0h， 生成
  参考文献：
  名称：

  Discovery of a potent enoyl-acyl carrier protein reductase (FabI) inhibitor suitable for antistaphylococcal agent

  摘要：

  We report the discovery, synthesis, and biological activities of phenoxy-4-pyrone and phenoxy-4-pyridone derivatives as novel inhibitors of enoyl-acyl carrier protein reductase (FabI). Pyridone derivatives showed better activities than pyrone derivatives against FabI and Staphylococcus aureus strains, including methicillin-resistant Staphylococcus aureus (MRSA). Among the pyridone derivatives, compound 16l especially exhibited promising activities against the MRSA strain and good pharmacokinetic profiles. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.08.077
• 作为产物：
  描述：

  2-甲基-3-硝基苯酚 、 一氯丙酮 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 15.0h， 以98%的产率得到2-Methyl-1-nitro-3-(2'-oxopropyloxy)benzene
  参考文献：
  名称：

  4 H-呋喃并[2,3 - h ]喹啉-4-酮和5 H-呋喃并[3,2 - g ]喹啉-5-酮的甲基衍生物的合成

  摘要：

  使用硝基苯并呋喃3和9作为关键中间体，合成了线性和角型呋喃喹啉-4-酮衍生物6和12。将这些化合物还原为相应的氨基苯并呋喃4和10，将其分两步进行缩合，得到线性呋喃喹啉-4-酮6a，b和有角呋喃喹啉-4-酮6a ，b。

  DOI：

  10.1002/jlac.199719970221

文献信息

• Synthesis of Methyl Derivatives of 4H-Furo[2,3-h]quinolin-4-one and 5H-Furo[3,2-g]quinolin-5-one
  作者：Vadapalli S. Rao、Paolo Rodighiero、Adriana Chilin、Andrea Castellin、Paolo Manzini、Adriano Guiotto

  DOI：10.1002/jlac.199719970221

  日期：1997.2

  Synthesis of the linear and angular furoquinolin-4-one derivatives 6 and 12 was performed, using nitrobenzofurans 3 and 9 as key intermediates. These compounds were reduced to the corresponding aminobenzofurans 4 and 10, which were condensed in two steps to yield, the linear furoquinolin-4-ones 6a,b and the angular ones 12a,b.

  使用硝基苯并呋喃3和9作为关键中间体，合成了线性和角型呋喃喹啉-4-酮衍生物6和12。将这些化合物还原为相应的氨基苯并呋喃4和10，将其分两步进行缩合，得到线性呋喃喹啉-4-酮6a，b和有角呋喃喹啉-4-酮6a ，b。
• Discovery of a potent enoyl-acyl carrier protein reductase (FabI) inhibitor suitable for antistaphylococcal agent
  作者：Yun Gyeong Kim、Jae Hong Seo、Jin Hwan Kwak、Kye Jung Shin

  DOI：10.1016/j.bmcl.2015.08.077

  日期：2015.10

  We report the discovery, synthesis, and biological activities of phenoxy-4-pyrone and phenoxy-4-pyridone derivatives as novel inhibitors of enoyl-acyl carrier protein reductase (FabI). Pyridone derivatives showed better activities than pyrone derivatives against FabI and Staphylococcus aureus strains, including methicillin-resistant Staphylococcus aureus (MRSA). Among the pyridone derivatives, compound 16l especially exhibited promising activities against the MRSA strain and good pharmacokinetic profiles. (C) 2015 Elsevier Ltd. All rights reserved.