2-(4-(Benzyloxy)-2-(2,6-dichlorophenylamino)phenyl)acetic acid | 1173794-94-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(4-(Benzyloxy)-2-(2,6-dichlorophenylamino)phenyl)acetic acid
• 英文别名: 2-[2-(2,6-dichloroanilino)-4-phenylmethoxyphenyl]acetic acid
• CAS: 1173794-94-9
• 化学式: C₂₁H₁₇Cl₂NO₃
• 分子量: 402.277
• InChiKey: SUDOVCIPXLSLMN-UHFFFAOYSA-N

物化性质

• 熔点：
  149-150 °C
• 沸点：
  532.8±50.0 °C(Predicted)
• 密度：
  1.379±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-硝基苯甲醚 在 盐酸 、 aluminum (III) chloride 、 copper(l) iodide 、 硫酸 、 水 、 铁粉 、 铜 、 potassium carbonate 、 对甲苯磺酸 、 三苯基膦 、 sodium hydroxide 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 N-甲基吡咯烷酮 、 乙醚 、 乙醇 、 水 为溶剂， 反应 52.5h， 生成 2-(4-(Benzyloxy)-2-(2,6-dichlorophenylamino)phenyl)acetic acid
  参考文献：
  名称：

  Diclofenac derivatives with insulin-sensitizing activity

  摘要：

  A series of diclofenac derivatives were synthesized. The insulin-sensitizing activity of 28 new compounds was evaluated in 3T3-L1 cells. The compounds 10a and 10f exhibited similar insulin-sensitizing activity with positive drug rosiglitazone. (C) 2010 Lei Tang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2010.11.008

文献信息

• Design, synthesis and insulin-sensitizing activity of indomethacin and diclofenac derivatives
  作者：Jiquan Zhang、Jianta Wang、Haoshu Wu、Yaoyao He、Gaofeng Zhu、Xing Cui、Lei Tang

  DOI：10.1016/j.bmcl.2009.04.050

  日期：2009.6

  A series of aromatic acetic acid compounds were designed and synthesized on the basis of Non-steroidal anti-inflammatory drugs indomethacin and diclofenac. Compounds 5a, 7a, 5h, 7h and 17 could strongly promote insulin-regulated differentiation of 3T3-L1 cells in vitro. They acted as full or partial PPAR gamma agonist, or improved insulin resistance through non-PPAR gamma pathway. (C) 2009 Elsevier Ltd. All rights reserved.
• Diclofenac derivatives with insulin-sensitizing activity
  作者：Jian Ta Wang、Ying Wang、Ji Quan Zhang、Xing Cui、Yi Zhang、Gao Feng Zhu、Lei Tang

  DOI：10.1016/j.cclet.2010.11.008

  日期：2011.4

  A series of diclofenac derivatives were synthesized. The insulin-sensitizing activity of 28 new compounds was evaluated in 3T3-L1 cells. The compounds 10a and 10f exhibited similar insulin-sensitizing activity with positive drug rosiglitazone. (C) 2010 Lei Tang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.