N-(1,3-苯并二氧戊环-5-基甲基)-3-氧代-丁酰胺 | 16386-35-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 中文名称: N-(1,3-苯并二氧戊环-5-基甲基)-3-氧代-丁酰胺
• 英文名称: N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-oxobutanamide
• 英文别名: N-Piperonylacetoacetamide；N-(1,3-benzodioxol-5-ylmethyl)-3-oxobutanamide
• CAS: 16386-35-9
• 化学式: C₁₂H₁₃NO₄
• mdl: MFCD00022958
• 分子量: 235.24
• InChiKey: WNOBCCBHRGNWFB-UHFFFAOYSA-N

物化性质

• 沸点：
  468.0±45.0 °C(Predicted)
• 密度：
  1.264±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2932999099

反应信息

• 作为反应物：
  描述：

  N-(1,3-苯并二氧戊环-5-基甲基)-3-氧代-丁酰胺 、 5,6-dichlorobenzofuroxan 在 C.I.酸性橙108 、 calcium chloride 作用下， 以 甲醇 为溶剂， 以22%的产率得到6,7-dichloro-3-methylquinoxaline-2-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl) amide 1,4-di-N-oxide
  参考文献：
  名称：

  Synthesis and antimycobacterial activity of new quinoxaline-2-carboxamide 1,4-di-N-oxide derivatives

  摘要：

  As a continuation of our research and with the aim of obtaining new anti-tuberculosis agents which can improve the current chemotherapeutic anti-tuberculosis treatments, forty-three new quinoxaline-2-carboxamide 1,4-di-N-oxide derivatives were synthesized and evaluated for in vitro anti-tuberculosis activity against Mycobacterium tuberculosis strain H(37)Rv. Active compounds were also screened to assess toxicity to a VERO cell line. Results indicate that compounds with a methyl moiety substituted in position 3 and unsubstituted benzyl substituted on the carboxamide group provide an efficient approach for further development of anti-tuberculosis agents. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.06.036
• 作为产物：
  描述：

  双乙烯酮 、 3,4-亚甲二氧基苄胺 以 甲醇 为溶剂， 生成 N-(1,3-苯并二氧戊环-5-基甲基)-3-氧代-丁酰胺
  参考文献：
  名称：

  Synthesis and antimycobacterial activity of new quinoxaline-2-carboxamide 1,4-di-N-oxide derivatives

  摘要：

  As a continuation of our research and with the aim of obtaining new anti-tuberculosis agents which can improve the current chemotherapeutic anti-tuberculosis treatments, forty-three new quinoxaline-2-carboxamide 1,4-di-N-oxide derivatives were synthesized and evaluated for in vitro anti-tuberculosis activity against Mycobacterium tuberculosis strain H(37)Rv. Active compounds were also screened to assess toxicity to a VERO cell line. Results indicate that compounds with a methyl moiety substituted in position 3 and unsubstituted benzyl substituted on the carboxamide group provide an efficient approach for further development of anti-tuberculosis agents. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.06.036

文献信息

• Synthesis and antimycobacterial activity of new quinoxaline-2-carboxamide 1,4-di-N-oxide derivatives
  作者：Elsa Moreno、Saioa Ancizu、Silvia Pérez-Silanes、Enrique Torres、Ignacio Aldana、Antonio Monge

  DOI：10.1016/j.ejmech.2010.06.036

  日期：2010.10

  As a continuation of our research and with the aim of obtaining new anti-tuberculosis agents which can improve the current chemotherapeutic anti-tuberculosis treatments, forty-three new quinoxaline-2-carboxamide 1,4-di-N-oxide derivatives were synthesized and evaluated for in vitro anti-tuberculosis activity against Mycobacterium tuberculosis strain H(37)Rv. Active compounds were also screened to assess toxicity to a VERO cell line. Results indicate that compounds with a methyl moiety substituted in position 3 and unsubstituted benzyl substituted on the carboxamide group provide an efficient approach for further development of anti-tuberculosis agents. (C) 2010 Elsevier Masson SAS. All rights reserved.