1-(2-chlorobenzyl)-4-hydroxy-2(1H)-pyridone | 1046146-35-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-(2-chlorobenzyl)-4-hydroxy-2(1H)-pyridone
• 英文别名: 1-[(2-Chlorophenyl)methyl]-4-hydroxypyridin-2-one；1-[(2-chlorophenyl)methyl]-4-hydroxypyridin-2-one
• CAS: 1046146-35-3
• 化学式: C₁₂H₁₀ClNO₂
• 分子量: 235.67
• InChiKey: IXZULMYOHGJNBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2-chlorobenzyl)-4-hydroxy-2(1H)-pyridone 、 (氯甲基)萘 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 、 四氢呋喃 为溶剂， 反应 0.33h， 以72%的产率得到4-((naphthalen-1-yl)methoxy)-1-(2-chlorobenzyl)-2(1H)-pyridone
  参考文献：
  名称：

  Design and synthesis of 2-pyridones as novel inhibitors of the Bacillus anthracis enoyl-ACP reductase

  摘要：

  Enoyl-ACP reductase (ENR), the product of the FabI gene, from Bacillus anthracis (BaENR) is responsible for catalyzing the final step of bacterial fatty acid biosynthesis. A number of novel 2-pyridone derivatives were synthesized and shown to be potent inhibitors of BaENR. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.05.004
• 作为产物：
  描述：

  4-benzyoxy-1-(2-chlorobenzyl)-2(1H)-pyridone 在 5% Pd/C 、 氢气 作用下， 以 甲醇 为溶剂， 反应 0.17h， 以85%的产率得到1-(2-chlorobenzyl)-4-hydroxy-2(1H)-pyridone
  参考文献：
  名称：

  Design and synthesis of 2-pyridones as novel inhibitors of the Bacillus anthracis enoyl-ACP reductase

  摘要：

  Enoyl-ACP reductase (ENR), the product of the FabI gene, from Bacillus anthracis (BaENR) is responsible for catalyzing the final step of bacterial fatty acid biosynthesis. A number of novel 2-pyridone derivatives were synthesized and shown to be potent inhibitors of BaENR. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.05.004

文献信息

• Design and synthesis of 2-pyridones as novel inhibitors of the Bacillus anthracis enoyl-ACP reductase
  作者：Suresh K. Tipparaju、Sipak Joyasawal、Sara Forrester、Debbie C. Mulhearn、Scott Pegan、Michael E. Johnson、Andrew D. Mesecar、Alan P. Kozikowski

  DOI：10.1016/j.bmcl.2008.05.004

  日期：2008.6

  Enoyl-ACP reductase (ENR), the product of the FabI gene, from Bacillus anthracis (BaENR) is responsible for catalyzing the final step of bacterial fatty acid biosynthesis. A number of novel 2-pyridone derivatives were synthesized and shown to be potent inhibitors of BaENR. (C) 2008 Elsevier Ltd. All rights reserved.