2-(3,4-dichlorophenyl)-4-vinyl-2,5-dihydrofuran-3-carboxylic acid | 1358031-34-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(3,4-dichlorophenyl)-4-vinyl-2,5-dihydrofuran-3-carboxylic acid
• 英文别名: 2-(3,4-Dichlorophenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxylic acid
• CAS: 1358031-34-1
• 化学式: C₁₃H₁₀Cl₂O₃
• 分子量: 285.127
• InChiKey: XIULIDZPPOPACS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(3,4-dichlorophenyl)-4-vinyl-2,5-dihydrofuran-3-carboxylic acid 在 氯化亚砜 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 生成 2-(3,4-dichlorophenyl)-N-phenyl-4-vinyl-2,5-dihydrofuran-3-carboxamide
  参考文献：
  名称：

  Synthesis of novel 2, 5-dihydrofuran derivatives and evaluation of their anticancer activity

  摘要：

  According to metal-catalyzed [3 + 2] cycloaddition reaction, we synthesized a series of novel 2, 5-dihydrofuran derivatives and evaluated their in vitro anti-cancer activities via MTT method. The bioassay showed that the majority of the resultant compounds exerted anti-tumor effect against four human cancer cell lines to various extents, which supported the rationale of the design. Compounds 9e and 10g showed the highest activity with broad anti-cancer spectrum, which were good candidates for further evaluation. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.11.036
• 作为产物：
  描述：

  3,4-二氯苯甲醛 在 哌啶 、 sodium hydride 、 溶剂黄146 作用下， 以 四氢呋喃 、 甲苯 、 mineral oil 为溶剂， 反应 21.08h， 生成 2-(3,4-dichlorophenyl)-4-vinyl-2,5-dihydrofuran-3-carboxylic acid
  参考文献：
  名称：

  Synthesis of novel 2, 5-dihydrofuran derivatives and evaluation of their anticancer activity

  摘要：

  According to metal-catalyzed [3 + 2] cycloaddition reaction, we synthesized a series of novel 2, 5-dihydrofuran derivatives and evaluated their in vitro anti-cancer activities via MTT method. The bioassay showed that the majority of the resultant compounds exerted anti-tumor effect against four human cancer cell lines to various extents, which supported the rationale of the design. Compounds 9e and 10g showed the highest activity with broad anti-cancer spectrum, which were good candidates for further evaluation. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.11.036