3-chloro-1-(3,4-dimethyl-phenyl)-4-{3-(2-oxo-2H-chromen-3-yl)-benzo-[4,5]imidazo[2,1-b]thiazol-2-yl}-azetidin-2-one | 1210057-12-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: 3-chloro-1-(3,4-dimethyl-phenyl)-4-{3-(2-oxo-2H-chromen-3-yl)-benzo-[4,5]imidazo[2,1-b]thiazol-2-yl}-azetidin-2-one
• 英文别名: 3-Chloro-1-(3,4-dimethylphenyl)-4-[1-(2-oxochromen-3-yl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]azetidin-2-one
• CAS: 1210057-12-7
• 化学式: C₂₉H₂₀ClN₃O₃S
• 分子量: 526.015
• InChiKey: AUABAHZZRRFXHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  37
• 可旋转键数：
  3
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  92.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-{2-[(3,4-dimethyl-phenylimino)-methyl]-benzo[4,5]imidazo[2,1-b]thiazol-3-yl}-chromen-2-one 、 氯乙酰氯 在 三乙胺 作用下， 以 1,4-二氧六环 为溶剂， 以81.29%的产率得到3-chloro-1-(3,4-dimethyl-phenyl)-4-{3-(2-oxo-2H-chromen-3-yl)-benzo-[4,5]imidazo[2,1-b]thiazol-2-yl}-azetidin-2-one
  参考文献：
  名称：

  New Schiff's Base and 2-Azetidinone Derivatives of 3-Benzo[4,5]imidazo[2,1-b]thiazol-3-yl-chromen-2-one by Vilsmeier–Haack Formylation

  摘要：

  A new Schiff's base and 2-azetidinone derivatives obtained via the corresponding 3-benzo [4,5] imidazo [2,1-b] thiazol-3-yl-chromen-2-one by Vilsmeier-Haack formylation scaffold is described. Our design is aimed at obtaining new triheterocyclic and tetraheterocyclic derivatives.

  DOI：

  10.1080/00397910902985507

文献信息

• New Schiff's Base and 2-Azetidinone Derivatives of 3-Benzo[4,5]imidazo[2,1-<i>b</i>]thiazol-3-yl-chromen-2-one by Vilsmeier–Haack Formylation
  作者：Harisha R. Seetharamareddy、Kallappa M. Hosamani、Rangappa S. Keri

  DOI：10.1080/00397910902985507

  日期：2010.1.14

  A new Schiff's base and 2-azetidinone derivatives obtained via the corresponding 3-benzo [4,5] imidazo [2,1-b] thiazol-3-yl-chromen-2-one by Vilsmeier-Haack formylation scaffold is described. Our design is aimed at obtaining new triheterocyclic and tetraheterocyclic derivatives.