1-(4H-3,1-benzoxazin-2-yl)imidazolidin-2-thione | 894422-44-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 1-(4H-3,1-benzoxazin-2-yl)imidazolidin-2-thione
• 英文别名: 1-(4H-3,1-benzoxazin-2-yl)imidazolidine-2-thione
• CAS: 894422-44-7
• 化学式: C₁₁H₁₁N₃OS
• 分子量: 233.294
• InChiKey: CYYPTOGRNRPRKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  69
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4H-3,1-benzoxazin-2-yl)imidazolidin-2-thione 在 一水合肼 作用下， 以 甲醇 为溶剂， 反应 48.0h， 以44%的产率得到N,N'-bis-(4H-3,1-benzoxazin-2-yl)hydrazine
  参考文献：
  名称：

  Synthesis, Structure and Transformations of 2-Iminoimidazolidines into Novel Fused Heterocyclic Ring Systems

  摘要：

  Reaction of 2-chloro-4,5-dihydroimidazole (1) with 2-aminobenzylamines (2a-d) afforded 2-[(imidazolidin-2-ylideneamino)methyl]anilines (3a-d) which upon treatment with carbon disulfide gave 2,3-dihydro-12H-imidazo[2',1':4,5][1,3,5]thiadiazino[2,3-b]quinazolin-5-thiones (4a-d) and 3,4-dihydro-1H-quinazolin-2-thiones (5a-c). Analogous reaction of 1 with 2-aminobenzyl alcohol (6) led to the formation of [2-(4,5-dihydrol 1H-imidazol-2-ylamino)phenyl]methanol hydrochloride (7) which was transformed into 1-(4H-3,1-benzoxazin-2-yl)imidazolidin-2-thione (8).

  DOI：

  10.3987/com-06-10666
• 作为产物：
  描述：

  邻氨基苯甲醇 在 三乙胺 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 60.0h， 生成 1-(4H-3,1-benzoxazin-2-yl)imidazolidin-2-thione
  参考文献：
  名称：

  Synthesis, Structure and Transformations of 2-Iminoimidazolidines into Novel Fused Heterocyclic Ring Systems

  摘要：

  Reaction of 2-chloro-4,5-dihydroimidazole (1) with 2-aminobenzylamines (2a-d) afforded 2-[(imidazolidin-2-ylideneamino)methyl]anilines (3a-d) which upon treatment with carbon disulfide gave 2,3-dihydro-12H-imidazo[2',1':4,5][1,3,5]thiadiazino[2,3-b]quinazolin-5-thiones (4a-d) and 3,4-dihydro-1H-quinazolin-2-thiones (5a-c). Analogous reaction of 1 with 2-aminobenzyl alcohol (6) led to the formation of [2-(4,5-dihydrol 1H-imidazol-2-ylamino)phenyl]methanol hydrochloride (7) which was transformed into 1-(4H-3,1-benzoxazin-2-yl)imidazolidin-2-thione (8).

  DOI：

  10.3987/com-06-10666

文献信息

• Synthesis, Structure and Transformations of 2-Iminoimidazolidines into Novel Fused Heterocyclic Ring Systems
  作者：Anita Kornicka、Franciszek Saczewski、Maria Gdaniec

  DOI：10.3987/com-06-10666

  日期：——

  Reaction of 2-chloro-4,5-dihydroimidazole (1) with 2-aminobenzylamines (2a-d) afforded 2-[(imidazolidin-2-ylideneamino)methyl]anilines (3a-d) which upon treatment with carbon disulfide gave 2,3-dihydro-12H-imidazo[2',1':4,5][1,3,5]thiadiazino[2,3-b]quinazolin-5-thiones (4a-d) and 3,4-dihydro-1H-quinazolin-2-thiones (5a-c). Analogous reaction of 1 with 2-aminobenzyl alcohol (6) led to the formation of [2-(4,5-dihydrol 1H-imidazol-2-ylamino)phenyl]methanol hydrochloride (7) which was transformed into 1-(4H-3,1-benzoxazin-2-yl)imidazolidin-2-thione (8).