2,4-二氟-3-(甲基氨基甲酰)联苯-4-乙酸 | 950984-92-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2,4-二氟-3-(甲基氨基甲酰)联苯-4-乙酸
• 英文名称: 2',4'-Difluoro-3-(methylcarbamoyl)[1,1'-biphenyl]-4-yl acetate
• 英文别名: [4-(2,4-difluorophenyl)-2-(methylcarbamoyl)phenyl] acetate
• CAS: 950984-92-6
• 化学式: C₁₆H₁₃F₂NO₃
• 分子量: 305.281
• InChiKey: GVBPXKYLEKRQIC-UHFFFAOYSA-N

物化性质

• 熔点：
  157-160 °C
• 沸点：
  409.6±45.0 °C(Predicted)
• 密度：
  1.266±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  二氟尼柳 在 氯化亚砜 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 反应 10.5h， 生成 2,4-二氟-3-(甲基氨基甲酰)联苯-4-乙酸
  参考文献：
  名称：

  Synthesis and biological evaluation of amide derivatives of diflunisal as potential anti-inflammatory agents

  摘要：

  To improve the medicinal activity, the structure of diflunisal has been modified. Twenty-one amide derivatives of diflunisal were synthesized starting from diflunisal in three steps with total yields from 72% to 89%. All compounds were identified by (1)H NMR, MS, and elemental analysis. The anti-inflammatory and analgesic activities for 19 compounds were evaluated. It was found that 5m possesses an excellent anti-inflammatory activity and a good analgesic activity, maybe a potential anti-inflammatory agent. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.035

文献信息

• Synthesis and biological evaluation of amide derivatives of diflunisal as potential anti-tumor agents
  作者：Guang-Xiang Zhong、Lu-Lu Chen、Hai-Bo Li、Fu-Jin Liu、Jin-Qing Hu、Wei-Xiao Hu

  DOI：10.1016/j.bmcl.2009.05.082

  日期：2009.8

  To discover the new medicinal activity, the structure of diflunisal has been modified. Forty amide derivatives of diflunisal were synthesized starting from diflunisal in three steps. Their inhibition growth rate of human lung cancer cell (A549) and human endometrial adenocarcinoma cell (Ishikawa) in vitro was evaluated. The preliminary assay results showed that compounds 6j, 7o and 8c exhibited good anti-tumor activities and excellent selectivity for the Ishikawa cell, may be potential anti-tumor agents. (C) 2009 Elsevier Ltd. All rights reserved.
• Synthesis and biological evaluation of amide derivatives of diflunisal as potential anti-inflammatory agents
  作者：Guang-Xiang Zhong、Jin-Qing Hu、Kun Zhao、Lu-Lu Chen、Wei-Xiao Hu、Ming-You Qiu

  DOI：10.1016/j.bmcl.2008.11.035

  日期：2009.1

  To improve the medicinal activity, the structure of diflunisal has been modified. Twenty-one amide derivatives of diflunisal were synthesized starting from diflunisal in three steps with total yields from 72% to 89%. All compounds were identified by (1)H NMR, MS, and elemental analysis. The anti-inflammatory and analgesic activities for 19 compounds were evaluated. It was found that 5m possesses an excellent anti-inflammatory activity and a good analgesic activity, maybe a potential anti-inflammatory agent. (C) 2008 Elsevier Ltd. All rights reserved.