Acetic acid 5-hydroxy-6,8-diiodo-4-oxo-2-phenyl-4H-chromen-7-yl ester | 539823-65-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: Acetic acid 5-hydroxy-6,8-diiodo-4-oxo-2-phenyl-4H-chromen-7-yl ester
• 英文别名: (5-Hydroxy-6,8-diiodo-4-oxo-2-phenylchromen-7-yl) acetate
• CAS: 539823-65-9
• 化学式: C₁₇H₁₀I₂O₅
• 分子量: 548.072
• InChiKey: HRFNZPJECXVSNL-UHFFFAOYSA-N

物化性质

• 沸点：
  573.4±50.0 °C(Predicted)
• 密度：
  2.112±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  氟磺酰基二氟乙酸甲酯 、 Acetic acid 5-hydroxy-6,8-diiodo-4-oxo-2-phenyl-4H-chromen-7-yl ester 在 copper(l) iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 Acetic acid 5-hydroxy-4-oxo-2-phenyl-6,8-bis-trifluoromethyl-4H-chromen-7-yl ester
  参考文献：
  名称：

  Synthesis and anticancer effect of chrysin derivatives

  摘要：

  A series of chrysin derivatives, prepared by alkylation, halogenation, nitration, methylation, acetylation and trifluoromethylation, were tested in vitro against human gastric adenocarcinoma cell line (SGC-7901) and colorectal adenocarcinoma (HT-29) cells. Among these derivatives of chrysin, 5,7-dimethoxy-8-iodochrysin 3 and 8-bromo-5-hydroxy-7-methoxychrysin 11 have the strongest activities against SGC-7901 and HT-29 cells, respectively. 5,7-Dihydroxy-8-nitrochrysin 12 were found to have strong activities against both SGC-7901 and HT-29 cells. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)01081-8
• 作为产物：
  描述：

  白杨素 在 吡啶 、 一氯化碘 、 溶剂黄146 作用下， 以 二甲基亚砜 为溶剂， 生成 Acetic acid 5-hydroxy-6,8-diiodo-4-oxo-2-phenyl-4H-chromen-7-yl ester
  参考文献：
  名称：

  Synthesis and anticancer effect of chrysin derivatives

  摘要：

  A series of chrysin derivatives, prepared by alkylation, halogenation, nitration, methylation, acetylation and trifluoromethylation, were tested in vitro against human gastric adenocarcinoma cell line (SGC-7901) and colorectal adenocarcinoma (HT-29) cells. Among these derivatives of chrysin, 5,7-dimethoxy-8-iodochrysin 3 and 8-bromo-5-hydroxy-7-methoxychrysin 11 have the strongest activities against SGC-7901 and HT-29 cells, respectively. 5,7-Dihydroxy-8-nitrochrysin 12 were found to have strong activities against both SGC-7901 and HT-29 cells. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)01081-8

文献信息

• Synthesis and anticancer effect of chrysin derivatives
  作者：Xing Zheng、Wei-Dong Meng、Yang-Yan Xu、Jian-Guo Cao、Feng-Ling Qing

  DOI：10.1016/s0960-894x(02)01081-8

  日期：2003.3

  A series of chrysin derivatives, prepared by alkylation, halogenation, nitration, methylation, acetylation and trifluoromethylation, were tested in vitro against human gastric adenocarcinoma cell line (SGC-7901) and colorectal adenocarcinoma (HT-29) cells. Among these derivatives of chrysin, 5,7-dimethoxy-8-iodochrysin 3 and 8-bromo-5-hydroxy-7-methoxychrysin 11 have the strongest activities against SGC-7901 and HT-29 cells, respectively. 5,7-Dihydroxy-8-nitrochrysin 12 were found to have strong activities against both SGC-7901 and HT-29 cells. (C) 2003 Elsevier Science Ltd. All rights reserved.