2-(2-tert-butyldimethylsiloxyethyl)-3,4-dihydro-7-methyl-3-oxo-2H-1,4-benzoxazine | 191097-25-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 2-(2-tert-butyldimethylsiloxyethyl)-3,4-dihydro-7-methyl-3-oxo-2H-1,4-benzoxazine
• 英文别名: 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyl-4H-1,4-benzoxazin-3-one
• CAS: 191097-25-3
• 化学式: C₁₇H₂₇NO₃Si
• 分子量: 321.492
• InChiKey: CIUQJLVOHIBKHZ-UHFFFAOYSA-N

物化性质

• 沸点：
  413.0±45.0 °C(Predicted)
• 密度：
  1.021±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.11
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(2-tert-butyldimethylsiloxyethyl)-3,4-dihydro-7-methyl-3-oxo-2H-1,4-benzoxazine 在 甲烷磺酸 、 三丁基膦 、 sodium hydride 、 1,1'-azodicarbonyl-dipiperidine 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 、 苯 为溶剂， 生成 (2-{2-[4-(4-Chloro-benzyl)-7-methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-2-yl]-ethoxy}-phenyl)-acetic acid methyl ester
  参考文献：
  名称：

  Benzoxazinones as PPARγ agonists. part 1: SAR of three aromatic regions

  摘要：

  A series of benzoxazinones was synthesized as PPARgamma agonists. The compounds were obtained in seven steps, and SAR was developed by variations to the core shown below. The compounds were tested as functional agonists in the induction of the aP2 gene in preadipocytes, and the most potent compound in the series has an EC50=0.51 muM. The potency was further confirmed through a PPAR-Ga14 construct. Efficacy has been demonstrated in the db/db mouse model of hyperglycemia. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00401-3
• 作为产物：
  描述：

  dihydro-3-(5-methyl-2-nitrophenoxy)-2(3H)-furanone 在 palladium on activated charcoal 咪唑 、 氢气 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-(2-tert-butyldimethylsiloxyethyl)-3,4-dihydro-7-methyl-3-oxo-2H-1,4-benzoxazine
  参考文献：
  名称：

  Benzoxazinones as PPARγ agonists. part 1: SAR of three aromatic regions

  摘要：

  A series of benzoxazinones was synthesized as PPARgamma agonists. The compounds were obtained in seven steps, and SAR was developed by variations to the core shown below. The compounds were tested as functional agonists in the induction of the aP2 gene in preadipocytes, and the most potent compound in the series has an EC50=0.51 muM. The potency was further confirmed through a PPAR-Ga14 construct. Efficacy has been demonstrated in the db/db mouse model of hyperglycemia. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00401-3

文献信息

• Benzoxazine antimicrobial agents
  申请人：Ortho Pharmaceutical Corporation

  公开号：US05696117A1

  公开（公告）日：1997-12-09

  The invention relates to benzoxazine and pyrido-oxazine antibacterial compounds of the general formula: ##STR1## wherein the moiety Q is a fused phenyl or fused pyridyl moiety as herein described, pharmaceutical compositions containing the compounds, methods for their production and their use in treating bacterial infections.

  该发明涉及一般式为：##STR1##的苯并噁嗪和吡啶噁嗪抗菌化合物，其中基团Q是如本文所述的融合苯或融合吡啶基团，含有这些化合物的药物组合物，其生产方法以及在治疗细菌感染中的应用。
• Benzoxazinones as PPARγ agonists. part 1: SAR of three aromatic regions
  作者：Philip J. Rybczynski、Roxanne E. Zeck、Donald W. Combs、Ignatius Turchi、Thomas P. Burris、Jun Z. Xu、Maria Yang、Keith T. Demarest

  DOI：10.1016/s0960-894x(03)00401-3

  日期：2003.7

  A series of benzoxazinones was synthesized as PPARgamma agonists. The compounds were obtained in seven steps, and SAR was developed by variations to the core shown below. The compounds were tested as functional agonists in the induction of the aP2 gene in preadipocytes, and the most potent compound in the series has an EC50=0.51 muM. The potency was further confirmed through a PPAR-Ga14 construct. Efficacy has been demonstrated in the db/db mouse model of hyperglycemia. (C) 2003 Elsevier Science Ltd. All rights reserved.