(4,7-dimethoxy-5-acetylbenzofuran-6-yloxy)acetic acid ethyl ester | 51594-76-4

• 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: (4,7-dimethoxy-5-acetylbenzofuran-6-yloxy)acetic acid ethyl ester
• 英文别名: Ethyl 2-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxy]acetate
• CAS: 51594-76-4
• 化学式: C₁₆H₁₈O₇
• 分子量: 322.315
• InChiKey: XXCLGGGGKNAMEE-UHFFFAOYSA-N

物化性质

• 沸点：
  436.8±40.0 °C(Predicted)
• 密度：
  1.226±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  84.2
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (4,7-dimethoxy-5-acetylbenzofuran-6-yloxy)acetic acid ethyl ester 在 sodium hydroxide 作用下， 生成 (5-acetyl-4,7-dimethoxy-benzofuran-6-yloxy)-acetic acid
  参考文献：
  名称：

  Musante, Gazzetta Chimica Italiana, 1957, vol. 87, p. 470,479

  摘要：

  DOI：
• 作为产物：
  描述：

  凯林 在 氢氧化钾 、 potassium carbonate 、 丙酮 作用下， 生成 (4,7-dimethoxy-5-acetylbenzofuran-6-yloxy)acetic acid ethyl ester
  参考文献：
  名称：

  Musante, Gazzetta Chimica Italiana, 1957, vol. 87, p. 470,479

  摘要：

  DOI：

文献信息

• Synthesis of Novel Benzodifuranyl; 1,3,5-Triazines; 1,3,5-Oxadiazepines; and Thiazolopyrimidines Derived from Visnaginone and Khellinone as Anti-Inflammatory and Analgesic Agents
  作者：Ameen Ali Abu-Hashem、Sami A Al-Hussain、Magdi E. A. Zaki

  DOI：10.3390/molecules25010220

  日期：——

  NMR, and MS). The new compounds were screened as cyclooxygenase-1/ cyclooxygenase-2 (COX-1/COX-2) inhibitors and had analgesic and anti-inflammatory activities. The compounds 10a–d and 13a–f had the highest inhibitory activity on COX-2 selectivity, with indices of 99–90, analgesic activity of 51–42% protection, and anti-inflammatory activity of 68%–59%. The inhibition of edema for the same compounds

  新型 (4-甲氧基或 4,8-二甲氧基)-3-甲基-N-(6-oxo-2-thioxo-1,2,3, 6-tetrahydro-pyrimidin-4-yl) 苯并 [1,2- b: 5, 4-b'] difuran-2-carboxamide (5a-b) 是通过 visnagenone-乙酸乙酯 (2a) 或 khellinone-乙酸乙酯 (2b) 与 6-氨基硫尿嘧啶在二甲基甲酰胺中的反应或苯并呋喃的回流合成的。 oxy-N-(2-thioxopyrimidine) 乙酰胺 (4a-b) 的乙醇钠溶液以良好的收率得到相同的产物 (5a,b)。因此，化合物 5a-b 被用作制备许多新的杂环化合物，如 2-(4-(3-methylbenzodifuran-2-carbox-amido) pyrimidine) 乙酸 (6a-b)、N-(thiazolo[ 3, 2-a]嘧啶)-3-甲基苯并二呋喃-2-甲酰胺
• SYNTHESIS OF BENZO[1,2-b: 5,4-b′]- DIFURANYL-TRIAZOLES, -OXADIAZOLES, -THIAZOLIDINONES, -THIADIAZOLES, AND THE USE OF DNA IN EVALUATION OF THEIR BIOLOGICAL ACTIVITY
  作者：E. M. Keshk、A. A. Abu-Hashem、M. M. Girges、A. H. Abdel-Rahman、F. A. Badria

  DOI：10.1080/10426500490464140

  日期：2004.8

  lBertzo[1,2-b:5,4-b']difuran-2-carbohydrazides 5a,b were reacted with aryl or alkyl isothiocyanates to give the corresponding thiosemicarbazides 6a-h. Cyclization of the substituted thiosemicarbazides with sodium hydroxide led to the formation of benzo[1,2-6:5,4-b']difuranyl-1,3,4-triazoles 7a-f. Desulfurization. of thiosemicarbazides by mercuric oxide gave benzo[1,2-b:5,4-b']difuranyl-1,3 4-oxadiazoles 8a-f. Treatment of thiosemcarbazides with, ethyl bromoacetate or alpha-bromopropionic acid yielded benzo[1,2-6:5,4-b']difuranyl-carbonyl-hydrazono-4-thiazolidinones 9a-f and 10a-f, respectively. Furthermore, the reaction of the thiosemicarbazides with phosphorus oxychloride gave bettzo[1,2-6:5,4-b']difurartyl-1,3,4-thiadiazoles 11a-f. Some compounds in this study were biologically evaluated for their ability to bind to DNA.