1-[1-(4,5-Dimethyl-2-furyl)ethyl]benzotriazole | 161198-81-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: 1-[1-(4,5-Dimethyl-2-furyl)ethyl]benzotriazole
• 英文别名: 1-[1-(4,5-dimethylfuran-2-yl)ethyl]benzotriazole
• CAS: 161198-81-8
• 化学式: C₁₄H₁₅N₃O
• 分子量: 241.293
• InChiKey: KOGDVENWIXHXIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  43.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-[1-(4,5-Dimethyl-2-furyl)ethyl]benzotriazole 以79%的产率得到
  参考文献：
  名称：

  Katritzky Alan R., Li Jianqing, J. Org. Chem, 60 (1995) N 3, S 638- 643

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(2-炔丙基 在 正丁基锂 、 potassium tert-butylate 作用下， 以 四氢呋喃 、 环己烷 、 叔丁醇 为溶剂， 反应 11.0h， 生成 1-[1-(4,5-Dimethyl-2-furyl)ethyl]benzotriazole
  参考文献：
  名称：

  A Novel Furan Ring Construction and Syntheses of 4- and 4,5-Substituted 2-(.alpha.-Heterocyclylalkyl)furans

  摘要：

  4-Substituted and 4,5-disubstituted 2-(benzotriazol-1-ylmethyl)furans 3 have been prepared in good yields from 1-propargylbenzotriazole (1) and alpha-bromo ketones via one-pot processes. The 2(benzotriazol-1-ylmethyl) side chain of 3 was alkylated by lithiation followed by quenching with electrophiles to afford 4- and 4,5-substituted 2-(alpha-benzotriazol-1-ylalkyl)furans 11. Substitution of the benzotriazolyl groups of 3 and 11 with other heterocycles in the presence of ZnClB2 gave a variety of 4- and 4,5-substituted 2-(alpha-heterocycloalkyl)furans 10 and 12 in good yields.

  DOI：

  10.1021/jo00108a028

文献信息

• Katritzky Alan R., Li Jianqing, J. Org. Chem, 60 (1995) N 3, S 638- 643
  作者：Katritzky Alan R., Li Jianqing

  DOI：——

  日期：——
• A Novel Furan Ring Construction and Syntheses of 4- and 4,5-Substituted 2-(.alpha.-Heterocyclylalkyl)furans
  作者：Alan R. Katritzky、Jianqing Li

  DOI：10.1021/jo00108a028

  日期：1995.2

  4-Substituted and 4,5-disubstituted 2-(benzotriazol-1-ylmethyl)furans 3 have been prepared in good yields from 1-propargylbenzotriazole (1) and alpha-bromo ketones via one-pot processes. The 2(benzotriazol-1-ylmethyl) side chain of 3 was alkylated by lithiation followed by quenching with electrophiles to afford 4- and 4,5-substituted 2-(alpha-benzotriazol-1-ylalkyl)furans 11. Substitution of the benzotriazolyl groups of 3 and 11 with other heterocycles in the presence of ZnClB2 gave a variety of 4- and 4,5-substituted 2-(alpha-heterocycloalkyl)furans 10 and 12 in good yields.

表征谱图