(6,8-dimethyl-2-oxo-2H-chromen-4-yl)-acetic acid | 5613-47-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: (6,8-dimethyl-2-oxo-2H-chromen-4-yl)-acetic acid
• 英文别名: 4-Carboxymethyl-6,8-dimethyl-cumarin；6,8-Dimethylcoumarin-4-acetic acid；2-(6,8-dimethyl-2-oxochromen-4-yl)acetic acid
• CAS: 5613-47-8
• 化学式: C₁₃H₁₂O₄
• 分子量: 232.236
• InChiKey: MSPASPVJDVXUSZ-UHFFFAOYSA-N

物化性质

• 熔点：
  206-207 °C
• 沸点：
  449.7±45.0 °C(Predicted)
• 密度：
  1.291±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (6,8-dimethyl-2-oxo-2H-chromen-4-yl)-acetic acid 在 selenium(IV) oxide 、 硫酸 作用下， 以 xylene 为溶剂， 生成 (6,8-Dimethyl-2-oxo-2H-chromen-4-yl)-oxo-acetic acid methyl ester
  参考文献：
  名称：

  Mashelkar; Audi, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2006, vol. 45, # 4, p. 967 - 971

  摘要：

  DOI：
• 作为产物：
  描述：

  1,3-丙酮二羧酸 、 2,4-二甲基苯酚 在 硫酸 作用下， 以63%的产率得到(6,8-dimethyl-2-oxo-2H-chromen-4-yl)-acetic acid
  参考文献：
  名称：

  Mashelkar; Audi, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2006, vol. 45, # 4, p. 967 - 971

  摘要：

  DOI：

文献信息

• Synthesis and in vitro anti-HIV activity of N-1,3-benzo[d]thiazol-2-yl-2-(2-oxo-2H-chromen-4-yl)acetamide derivatives using MTT method
  作者：Dhairya Bhavsar、Jalpa Trivedi、Shrey Parekh、Mahesh Savant、Shailesh Thakrar、Abhay Bavishi、Ashish Radadiya、Hardevsinh Vala、Jignesh Lunagariya、Manisha Parmar、Ladwa Paresh、Roberta Loddo、Anamik Shah

  DOI：10.1016/j.bmcl.2011.03.105

  日期：2011.6

  A series of novel N-1,3-benzo[d]thiazol-2-yl-2-(2-oxo-2H-chromen-4-yl)acetamide derivatives has been synthesized. All the newly synthesized compounds were evaluated for their anti-HIV activity using MTT method. Most of these compounds showed moderate to potent activity against wild-type HIV-1 with an EC50 ranging from >7 EC50 [mu g/ml] to <100 EC50 [mu g/ml]. Among them, N-1,3-benzo[d]thiazol-2-yl-2-(2-oxo-2H-chromen-4-yl)acetamide 6v was identified as the most promising compound (EC50 = <7 mu g/ml). Among all the compounds, three compounds 6m, 6v and 6u have been exhibits potent anti-HIV activity against MT-4 cells. (C) 2011 Elsevier Ltd. All rights reserved.
• Mashelkar; Audi, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2006, vol. 45, # 6, p. 1463 - 1469
  作者：Mashelkar、Audi

  DOI：——

  日期：——
• Mashelkar; Audi, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2006, vol. 45, # 4, p. 967 - 971
  作者：Mashelkar、Audi

  DOI：——

  日期：——