isopropyl (3,4-dihydroxyphenyl)acetate | 143284-62-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: isopropyl (3,4-dihydroxyphenyl)acetate
• 英文别名: Propan-2-yl 2-(3,4-dihydroxyphenyl)acetate
• CAS: 143284-62-2
• 化学式: C₁₁H₁₄O₄
• 分子量: 210.23
• InChiKey: JSULKOYGGHFYEP-UHFFFAOYSA-N

物化性质

• 沸点：
  350.1±27.0 °C(Predicted)
• 密度：
  1.218±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  isopropyl (3,4-dihydroxyphenyl)acetate 、 二碘甲烷 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以65.8%的产率得到isopropyl 2-(3,4-methylenedioxyphenyl)acetate
  参考文献：
  名称：

  Benzodioxole derivatives and hepatopathy improvers comprising the same

  摘要：

  肝病改善剂包含以下公式所代表的一种或多种苯二噁唑衍生物作为有效成分：##STR1## 其中A表示特定的含氮或含硫基团。这些苯二噁唑衍生物大多是新颖的。

  公开号：

  US05227398A1
• 作为产物：
  描述：

  3,4-二羟基苯乙酸 在 硫酸 作用下， 以 苯 为溶剂， 以98.4%的产率得到isopropyl (3,4-dihydroxyphenyl)acetate
  参考文献：
  名称：

  Benzodioxole derivatives and hepatopathy improvers comprising the same

  摘要：

  肝病改善剂包含以下公式所代表的一种或多种苯二噁唑衍生物作为有效成分：##STR1## 其中A表示特定的含氮或含硫基团。这些苯二噁唑衍生物大多是新颖的。

  公开号：

  US05227398A1

文献信息

• Design, synthesis and biological evaluation of small molecular polyphenols as entry inhibitors against H5N1
  作者：Jian Yang、Jing Xiang Yang、Fang Zhang、Gang Chen、Wei Pan、Rui Yu、Shuwen Wu、Po Tien

  DOI：10.1016/j.bmcl.2014.04.057

  日期：2014.6

  To find novel compounds against H5N1, three series of known or novel small molecular polyphenols were synthesized and tested in vitro for anti-H5N1 activity. In addition, the preliminary structure-antiviral activity relationships were elaborated. The results showed that some small molecular polyphenols had better anti-H5N1 activity, and could serve as novel virus entry inhibitors against H5N1, likely targeting to HA2 protein. Noticeably, compound 4a showed the strongest activity against H5N1 among these compounds, and the molecular modeling analysis also suggested that this compound might target to HA2 protein. Therefore, compound 4a is well qualified to serve as a lead compound or scaffold for the further development of H5N1 entry inhibitor. (C) 2014 Elsevier Ltd. All rights reserved.
• Benzodioxole derivatives and hepatopathy improvers comprising the same
  申请人：Tsumura & Co.

  公开号：US05227398A1

  公开（公告）日：1993-07-13

  Hepatopathy improvers contain as an effective ingredient one or more of benzodioxole derivatives represented by the following formula: ##STR1## wherein A means a particular N- or S-containing group. Most of these benzodioxole derivatives are novel.

  肝病改善剂包含以下公式所代表的一种或多种苯二噁唑衍生物作为有效成分：##STR1## 其中A表示特定的含氮或含硫基团。这些苯二噁唑衍生物大多是新颖的。