2-Thienyl(3-methyltriazolothiazol-6-yl)methanol | 134576-75-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并嘧啶类
• 英文名称: 2-Thienyl(3-methyltriazolothiazol-6-yl)methanol
• 英文别名: (3-methyl-[1,3]thiazolo[3,2-c]triazol-6-yl)-thiophen-2-ylmethanol
• CAS: 134576-75-3
• 化学式: C₁₀H₉N₃OS₂
• 分子量: 251.333
• InChiKey: NIUVWDUILGPNJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.24
• 重原子数：
  16.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  50.42
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2-Thienyl(3-methyltriazolothiazol-6-yl)methanol 在 selenium(IV) oxide 作用下， 以 1,4-二氧六环 为溶剂， 以63%的产率得到(2-Acetylthiazol-4-yl)-2-thienylmethanone
  参考文献：
  名称：

  1,2,3-Triazolo[5,1-b]thiazoles. Part 2 Lithiation experiments leading to 2,4-disubstituted thiazoles

  摘要：

  3-Methyltriazolothiazole (2) and 3-phenyltriazolothiazole (3) were regiospecifically lithiated at position 6, triazolothiazole (1) at position 6 and 3 with the former predominating. The lithiated triazolothiazoles (4), (10) and (11) reacted with a number of electrophiles to give x:6-disubstituted triazolothiazoles, which could be converted into 2,4-disubstituted thiazoles.

  DOI：

  10.1016/s0040-4020(01)87091-5
• 作为产物：
  描述：

  2-噻吩甲醛 、 3-methylthiazolo[3,2-c][1,2,3]triazole 在 正丁基锂 作用下， 生成 2-Thienyl(3-methyltriazolothiazol-6-yl)methanol
  参考文献：
  名称：

  1,2,3-Triazolo[5,1-b]thiazoles. Part 2 Lithiation experiments leading to 2,4-disubstituted thiazoles

  摘要：

  3-Methyltriazolothiazole (2) and 3-phenyltriazolothiazole (3) were regiospecifically lithiated at position 6, triazolothiazole (1) at position 6 and 3 with the former predominating. The lithiated triazolothiazoles (4), (10) and (11) reacted with a number of electrophiles to give x:6-disubstituted triazolothiazoles, which could be converted into 2,4-disubstituted thiazoles.

  DOI：

  10.1016/s0040-4020(01)87091-5