[2-(3,4-dimethoxybenzoyl)-6-methyl-1-benzofuran-3-yl]acetic acid | 1264084-80-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [2-(3,4-dimethoxybenzoyl)-6-methyl-1-benzofuran-3-yl]acetic acid
• 英文别名: [2-(3,4-Dimethoxybenzoyl)-6-methyl-1-benzofuran-3-yl]acetic acid；2-[2-(3,4-dimethoxybenzoyl)-6-methyl-1-benzofuran-3-yl]acetic acid
• CAS: 1264084-80-1
• 化学式: C₂₀H₁₈O₆
• 分子量: 354.359
• InChiKey: QCLULSCGISBWNB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  86
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [2-(3,4-dimethoxybenzoyl)-6-methyl-1-benzofuran-3-yl]acetic acid 在 溶剂黄146 、 肼 作用下， 以 乙二醇乙醚 为溶剂， 反应 20.0h， 以40%的产率得到1-(3,4-dimethoxyphenyl)-8-methyl-3,5-dihydro-4H-benzofuro[2,3-d][1,2]diazepin-4-one
  参考文献：
  名称：

  Condensed diazepines. synthesis of 1-aryl-3,5-dihydro-4H-1-benzofuro-[2,3-d][1,2]diazepin-4-ones

  摘要：

  The cyclocondensation of (2-aroyl-1-benzofuran-3-yl)acetic acids and their methyl esters with hydrazine hydrate under various experimental conditions has been studied. Optimal conditions have been found for obtaining 1-aryl-3,5-dihydro-4H-1-benzofuro[2,3-d][1,2]diazepin-4-ones.

  DOI：

  10.1007/s10593-010-0637-4
• 作为产物：
  描述：

  2-(6-甲基-1-苯并呋喃-3-基)乙酸 在 乙酰氯 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 58.5h， 生成 [2-(3,4-dimethoxybenzoyl)-6-methyl-1-benzofuran-3-yl]acetic acid
  参考文献：
  名称：

  Condensed diazepines. synthesis of 1-aryl-3,5-dihydro-4H-1-benzofuro-[2,3-d][1,2]diazepin-4-ones

  摘要：

  The cyclocondensation of (2-aroyl-1-benzofuran-3-yl)acetic acids and their methyl esters with hydrazine hydrate under various experimental conditions has been studied. Optimal conditions have been found for obtaining 1-aryl-3,5-dihydro-4H-1-benzofuro[2,3-d][1,2]diazepin-4-ones.

  DOI：

  10.1007/s10593-010-0637-4

文献信息

• Condensed diazepines. synthesis of 1-aryl-3,5-dihydro-4H-1-benzofuro-[2,3-d][1,2]diazepin-4-ones
  作者：A. B. Eresko、V. S. Tolkunov、S. V. Tolkunov

  DOI：10.1007/s10593-010-0637-4

  日期：2010.12

  The cyclocondensation of (2-aroyl-1-benzofuran-3-yl)acetic acids and their methyl esters with hydrazine hydrate under various experimental conditions has been studied. Optimal conditions have been found for obtaining 1-aryl-3,5-dihydro-4H-1-benzofuro[2,3-d][1,2]diazepin-4-ones.