7-(2-二乙基氨基乙氧基)苯并吡喃-2-酮 | 32550-44-0

• 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
• 中文名称: 7-(2-二乙基氨基乙氧基)苯并吡喃-2-酮
• 英文名称: 7-(β,β-diethylamino)ethoxycoumarin
• 英文别名: 7-[2-(diethylamino)ethoxy]-2H-chromen-2-one；7-[2-(N,N-diethylamino)ethoxy]chromen-2-one；ZINC00389136；7-(2-diethylamino-ethoxy)-chromen-2-one；7-[2-(diethylamino)ethoxy]chromen-2-one
• CAS: 32550-44-0
• 化学式: C₁₅H₁₉NO₃
• 分子量: 261.321
• InChiKey: BKPKOUGBWOHARK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2932209090

反应信息

• 作为反应物：
  描述：

  7-(2-二乙基氨基乙氧基)苯并吡喃-2-酮 在 盐酸 作用下， 以 乙醇 为溶剂， 以96%的产率得到7-(β,β-diethylamino)ethoxycoumarin hydrochloride
  参考文献：
  名称：

  Synthesis and pharmacological activity of O-aminoalkyl derivatives of 7-hydroxycoumarin

  摘要：

  A series of novel O-aminoalkyl substituted 7-hydroxycoumarins were synthesized and evaluated for antibacterial and anticancer toxicity. Two different synthetic procedures, conventional and microwave assisted were used, and the structures of the compounds were confirmed by IR. H-1, C-13 NMR and MAS spectroscopic data. The molecular and crystal structures of 8-acetyl-7-(2-(1-morpholino)ethoxy) 4-methylchromen-2-one in solid state were analyzed by single crystal X-ray diffraction. The compound crystallizes in the monoclinic space group P2(1)/c. The main driving forces for the supramolecular structure are the C-H center dot center dot center dot O hydrogen bonds and the it pi...pi it intermolecular interactions. The most active compounds are those, where the O-aminoalkyl substituent has N,N-diethylamino part, and acetyl group is at C6 or at C8 atoms. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.03.006
• 作为产物：
  描述：

  7-羟基香豆素 、 N,N-二乙基氯乙胺 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 2.0h， 生成 7-(2-二乙基氨基乙氧基)苯并吡喃-2-酮
  参考文献：
  名称：

  Joshi, B. S.; Viswanathan, N.; Kaul, C. L., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1980, vol. 19, # 6, p. 495 - 499

  摘要：

  DOI：

文献信息

• Synthesis and pharmacological activity of O-aminoalkyl derivatives of 7-hydroxycoumarin
  作者：Joanna Trykowska Konc、Elżbieta Hejchman、Hanna Kruszewska、Irena Wolska、Dorota Maciejewska

  DOI：10.1016/j.ejmech.2011.03.006

  日期：2011.6

  A series of novel O-aminoalkyl substituted 7-hydroxycoumarins were synthesized and evaluated for antibacterial and anticancer toxicity. Two different synthetic procedures, conventional and microwave assisted were used, and the structures of the compounds were confirmed by IR. H-1, C-13 NMR and MAS spectroscopic data. The molecular and crystal structures of 8-acetyl-7-(2-(1-morpholino)ethoxy) 4-methylchromen-2-one in solid state were analyzed by single crystal X-ray diffraction. The compound crystallizes in the monoclinic space group P2(1)/c. The main driving forces for the supramolecular structure are the C-H center dot center dot center dot O hydrogen bonds and the it pi...pi it intermolecular interactions. The most active compounds are those, where the O-aminoalkyl substituent has N,N-diethylamino part, and acetyl group is at C6 or at C8 atoms. (C) 2011 Elsevier Masson SAS. All rights reserved.
• Joshi, B. S.; Viswanathan, N.; Kaul, C. L., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1980, vol. <B> 19, # 6, p. 495 - 499
  作者：Joshi, B. S.、Viswanathan, N.、Kaul, C. L.、Grewal, R. S.

  DOI：——

  日期：——