2-氨基-3,7-二甲基咪唑并[4,5-f]喹噁啉 | 78411-56-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 2-氨基-3,7-二甲基咪唑并[4,5-f]喹噁啉
• 英文名称: 2-amino-3,7-dimethylimidazo<4,5-f>quinoxaline
• 英文别名: 3,7-Dimethyl-3h-imidazo[4,5-f]quinoxalin-2-amine；3,7-dimethylimidazo[4,5-f]quinoxalin-2-amine
• CAS: 78411-56-0
• 化学式: C₁₁H₁₁N₅
• mdl: MFCD00801099
• 分子量: 213.242
• InChiKey: LDBGZSRZUHNKMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.181
• 拓扑面积：
  69.6
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090

反应信息

• 作为产物：
  描述：

  4-氟-1,2-苯二胺 在 镍 氢气 作用下， 生成 2-氨基-3,7-二甲基咪唑并[4,5-f]喹噁啉
  参考文献：
  名称：

  Grivas; Olsson, Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1985, vol. 39, # 1, p. 31 - 34

  摘要：

  DOI：

文献信息

• SYNTHESIS OF 2-AMINO-3,8-DIMETHYLIMIDAZO[4,5-<i>f</i>]QUINOXALINE (Me-IQx), A POTENT MUTAGEN ISOLATED FROM FRIED BEEF
  作者：Hiroshi Kasai、Tomoko Shiomi、Takashi Sugimura、Susumu Nishimura

  DOI：10.1246/cl.1981.675

  日期：1981.5.5

  A potent mutagen, 2-amino-3,8-dimethylimidazo[4,5-f]quinoxaline (Me-IQx), isolated from fried beef and its 3,7-dimethyl derivative were synthesized from 6-amino-3-methylquinoxa1ine and 6-amino-2-methylquinoxaline, respectively. These compounds showed strong mutagenic activity towards Salmonella typhimurium TA98 in the presence of S9 Mix.

  一种强效突变原，2-氨基-3,8-二甲基咪唑[4,5-f]喹啉（Me-IQx），从炸牛肉中分离得到，其3,7-二甲基衍生物是由6-氨基-3-甲基喹喔啉和6-氨基-2-甲基喹喔啉合成的。这些化合物在S9混合物存在下对沙门氏菌泰菲木菌TA98表现出强烈的突变活性。
• Regiospecific synthesis of the aminoimidazoquinoxaline (IQx) mutagens from cooked foods
  作者：Donald E. Bierer、John F. O'Connell、Jon R. Parquette、Charles M. Thompson、Henry Rapoport

  DOI：10.1021/jo00031a017

  日期：1992.2

  A versatile regiospecific synthesis has been developed to prepare the six dimethyl- and trimethyl-substituted 2-aminoimidazoquinoxaline (IQx) regioisomers 35, 36, 37, 38, 39, and 40 for complete and unambiguous characterization. The key reaction step in the synthetic sequence for these angular tricycles is a photodehydrohalogenative cyclization of suitably substituted pyrazinylimidazolylethylene intermediates derived from common pyrazine and fully functionalized imidazole precursors. The reaction sequence developed allows for versatility in the substitution pattern as well as total regioisomeric control for the synthesis of all possible methyl and polymethyl analogues of IQx. Comparison of the physical properties among the isomeric di- and trimethyl-IQx's has established the value of unambiguous regiospecific synthesis for structural assignments in this food mutagen series.
• GRIVAS, S.;OLSSON, K., ACTA CHEM. SCAND., 1985, 39, N 1, 31-34
  作者：GRIVAS, S.、OLSSON, K.

  DOI：——

  日期：——