tert-butyl (2-acetyl-4-((tert-butyldimethylsilyl)oxy)phenyl)carbamate | 1259391-81-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: tert-butyl (2-acetyl-4-((tert-butyldimethylsilyl)oxy)phenyl)carbamate
• CAS: 1259391-81-5
• 化学式: C₁₉H₃₁NO₄Si
• 分子量: 365.545
• InChiKey: HEFBGWPUYNLJJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.62
• 重原子数：
  25.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  64.63
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  tert-butyl (2-acetyl-4-((tert-butyldimethylsilyl)oxy)phenyl)carbamate 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 生成 tert-butyl N-(2-acetyl-4-hydroxyphenyl)carbamate
  参考文献：
  名称：

  Discovery of novel quinolinone adenosine A2B antagonists

  摘要：

  A novel series of quinolinone-based adenosine A(2B) receptor antagonists was identified via high throughput screening of an encoded combinatorial compound collection. Synthesis and assay of a series of analogs highlighted essential structural features of the initial hit. Optimization resulted in an A2B antagonist (2i) which exhibited potent activity in a cAMP accumulation assay (5.1 nM) and an IL-8 release assay (0.4 nM). (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.030
• 作为产物：
  描述：

  乙酰氯 、 [4-(tert-butyl-dimethyl-silanyloxy)-phenyl]-carbamic acid tert-butyl ester 在 正丁基锂 、 三丁基氯化锡 、 叔丁基锂 、 双(乙腈)氯化钯(II) 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 生成 tert-butyl (2-acetyl-4-((tert-butyldimethylsilyl)oxy)phenyl)carbamate
  参考文献：
  名称：

  Discovery of novel quinolinone adenosine A2B antagonists

  摘要：

  A novel series of quinolinone-based adenosine A(2B) receptor antagonists was identified via high throughput screening of an encoded combinatorial compound collection. Synthesis and assay of a series of analogs highlighted essential structural features of the initial hit. Optimization resulted in an A2B antagonist (2i) which exhibited potent activity in a cAMP accumulation assay (5.1 nM) and an IL-8 release assay (0.4 nM). (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.030