1-(2,5-bis(tert-butyldimethylsilyloxy)phenyl)ethanone | 1431642-68-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2,5-bis(tert-butyldimethylsilyloxy)phenyl)ethanone
• 英文别名: 2,5-Dihydroxyacetophenone, 2TBDMS derivative；1-[2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethanone
• CAS: 1431642-68-0
• 化学式: C₂₀H₃₆O₃Si₂
• 分子量: 380.675
• InChiKey: JHPNDDHYZBKOMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.66
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2,5-bis(tert-butyldimethylsilyloxy)phenyl)ethanone 在 四丁基氟化铵 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 16.0h， 生成 1-(2,5-dihydroxyphenyl)-3-(4-methoxyphenyl)propane-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
• 作为产物：
  描述：

  叔丁基二甲基氯硅烷 、 2,5-二羟基苯乙酮 在 咪唑 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以93.2%的产率得到1-(2,5-bis(tert-butyldimethylsilyloxy)phenyl)ethanone
  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.