1-(2,5-difluorophenyl)-3-phenylpropane-1,3-dione | 1097121-93-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 1-(2,5-difluorophenyl)-3-phenylpropane-1,3-dione
• CAS: 1097121-93-1
• 化学式: C₁₅H₁₀F₂O₂
• mdl: MFCD12632711
• 分子量: 260.24
• InChiKey: RJIKOTHNGXQIRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.066
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(2,5-difluorophenyl)-3-phenylpropane-1,3-dione 在 一水合肼 作用下， 以 甲醇 为溶剂， 反应 0.25h， 以10%的产率得到3-(2,5-difluorophenyl)-5-phenyl-1H-pyrazole
  参考文献：
  名称：

  Design, synthesis and structure–activity relationships of 3,5-diaryl-1H-pyrazoles as inhibitors of arylamine N-acetyltransferase

  摘要：

  The synthesis and inhibitory potencies of a novel series of 3,5-diaryl-1H-pyrazoles as specific inhibitors of prokaryotic arylamine N-acetyltransferase enzymes is described. The series is based on hit compound 1 3,5-diaryl-1H-pyrazole identified from a high-throughout screen that has been carried out previously and found to inhibit the growth of Mycobacterium tuberculosis. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.02.052
• 作为产物：
  描述：

  2,5-二氟苯乙酮 、 苯甲酰氯 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以54%的产率得到1-(2,5-difluorophenyl)-3-phenylpropane-1,3-dione
  参考文献：
  名称：

  Design, synthesis and structure–activity relationships of 3,5-diaryl-1H-pyrazoles as inhibitors of arylamine N-acetyltransferase

  摘要：

  The synthesis and inhibitory potencies of a novel series of 3,5-diaryl-1H-pyrazoles as specific inhibitors of prokaryotic arylamine N-acetyltransferase enzymes is described. The series is based on hit compound 1 3,5-diaryl-1H-pyrazole identified from a high-throughout screen that has been carried out previously and found to inhibit the growth of Mycobacterium tuberculosis. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.02.052

文献信息

• Design, synthesis and structure–activity relationships of 3,5-diaryl-1H-pyrazoles as inhibitors of arylamine N-acetyltransferase
  作者：Elizabeth Fullam、James Talbot、Areej Abuhammed、Isaac Westwood、Stephen G. Davies、Angela J. Russell、Edith Sim

  DOI：10.1016/j.bmcl.2013.02.052

  日期：2013.5

  The synthesis and inhibitory potencies of a novel series of 3,5-diaryl-1H-pyrazoles as specific inhibitors of prokaryotic arylamine N-acetyltransferase enzymes is described. The series is based on hit compound 1 3,5-diaryl-1H-pyrazole identified from a high-throughout screen that has been carried out previously and found to inhibit the growth of Mycobacterium tuberculosis. (C) 2013 Elsevier Ltd. All rights reserved.