tert-butyl (E)-3-(3-(1-isopropyl-4,4,6-trimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-4-(trifluoromethoxy)phenyl)acrylate | 945039-13-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: tert-butyl (E)-3-(3-(1-isopropyl-4,4,6-trimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-4-(trifluoromethoxy)phenyl)acrylate
• CAS: 945039-13-4
• 化学式: C₂₉H₃₄F₃NO₄
• 分子量: 517.588
• InChiKey: DSMNECJPLMULTD-ZRDIBKRKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.34
• 重原子数：
  37.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  55.84
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  tert-butyl (E)-3-(3-(1-isopropyl-4,4,6-trimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-4-(trifluoromethoxy)phenyl)acrylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 8.0h， 生成 3-[3-(1-Isopropyl-4,4,6-trimethyl-2-oxo-1,2,3,4-tetrahydro-quinolin-7-yl)4-trifluoromethoxy-phenyl]-acrylic acid
  参考文献：
  名称：

  RXR–LXR heterodimer modulators for the potential treatment of dyslipidemia

  摘要：

  A number of RXR agonists were synthesized and screened in functional assays. The synthesis and tile structure-activity relationship (SAR) within the series of compounds will be presented. Some in vivo data in rodent models for dyslipidemia and diabetes will also be presented. (c) 2007 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.01.047
• 作为产物：
  描述：

  4,4,6-三甲基-3,4-二氢-2-喹啉酮 在 四(三苯基膦)钯 N,N-二甲基丙烯基脲 、 氢氧化钾 、 N-溴代丁二酰亚胺(NBS) 、 正丁基锂 、 potassium carbonate 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 二甲基亚砜 、 甲苯 为溶剂， 反应 24.0h， 生成 tert-butyl (E)-3-(3-(1-isopropyl-4,4,6-trimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-4-(trifluoromethoxy)phenyl)acrylate
  参考文献：
  名称：

  RXR–LXR heterodimer modulators for the potential treatment of dyslipidemia

  摘要：

  A number of RXR agonists were synthesized and screened in functional assays. The synthesis and tile structure-activity relationship (SAR) within the series of compounds will be presented. Some in vivo data in rodent models for dyslipidemia and diabetes will also be presented. (c) 2007 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.01.047

文献信息

• Dihydro-[1H]-quinolin-2-ones as retinoid X receptor (RXR) agonists for potential treatment of dyslipidemia
  作者：Bharat Lagu、Rimma Lebedev、Barbara Pio、Maria Yang、Patricia D. Pelton

  DOI：10.1016/j.bmcl.2007.01.049

  日期：2007.6

  A number of RXR modulators with novel structural features were synthesized and screened in the functional assays. The synthesis and the structure-activity relationship within the series of compounds will be presented. Some in vivo data generated in the models for dyslipidemia and diabetes will also be presented. (c) 2007 Published by Elsevier Ltd.