7-Methyl-8H-imidazo[4',5':3,4]benzo[1,2-c][1,2,5]thiadiazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 7-Methyl-8H-imidazo[4',5':3,4]benzo[1,2-c][1,2,5]thiadiazole
• 英文别名: 11-Methyl-4lambda4-thia-3,5,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,4,7,11-hexaene；11-methyl-4λ4-thia-3,5,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,4,7,11-hexaene
• 化学式: C₈H₆N₄S
• mdl: MFCD03659332
• 分子量: 190.228
• InChiKey: UPJXPKBDSWPUKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  溶剂黄146 、 2,1,3-苯并噻二唑-4,5-二胺 反应 3.0h， 以70%的产率得到7-Methyl-8H-imidazo[4',5':3,4]benzo[1,2-c][1,2,5]thiadiazole
  参考文献：
  名称：

  Rao; Veeranagaiah, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1990, vol. 29, # 6, p. 529 - 532

  摘要：

  DOI：

文献信息

• Alkyl-substituted Benzo[1,2-d:3,4-d' ]diimidazoles. Preparation and Annular Tautomerism
  作者：Shuntaro Mataka、Kazuchika Isomura、Tsuyoshi Sawada、Takehito Tsukinoki、Masashi Tashiro、Kazufumi Takahashi、Akiyoshi Tori-i

  DOI：10.3987/com-97-8020

  日期：——

  The treatment of 4-nitro-5-amino-2,1,3-benzothiadiazole (3) with tin/hydrochloric acid in the presence of a carboxylic acid having a C1-C3 chain gave the corresponding 2,5-dialkylbenzo[1,2-d:3,4-d']diimidazoles (1). When the amount of tin was reduced to a half, 3 afforded only 5-alkylimidazolo[4,5-d]benzothiadiazoles (2). Unsymmetrical dialkyldiimidazoles (1) were obtained from 2 in a second step. Annular tautomers due to NH-proton exchange of the imidazole rings of 1 and 2 could be observed in H-1 NMR spectra in DMSO-d(6) at a low concentration (ca. 5 x 10(-4) M).
• Rao; Veeranagaiah, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1990, vol. 29, # 6, p. 529 - 532
  作者：Rao、Veeranagaiah

  DOI：——

  日期：——