8-methyl-12-(2-chloro-6-methyl-quinolin-3-yl)-3,3-dimethyl-2,3,4,12-tetrahydro-benzo[4,5]thiazolo[2,3-b]quinazolin-1-one | 1210047-03-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 8-methyl-12-(2-chloro-6-methyl-quinolin-3-yl)-3,3-dimethyl-2,3,4,12-tetrahydro-benzo[4,5]thiazolo[2,3-b]quinazolin-1-one
• 英文别名: 12-(2-chloro-6-methylquinolin-3-yl)-3,3,8-trimethyl-4,12-dihydro-2H-[1,3]benzothiazolo[2,3-b]quinazolin-1-one
• CAS: 1210047-03-2
• 化学式: C₂₇H₂₄ClN₃OS
• 分子量: 474.026
• InChiKey: MLKAMPSJEUNDNM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  33
• 可旋转键数：
  1
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  70.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-氨基-6-甲基苯并噻唑 、 2-氯-6-甲基喹啉-3-甲醛 、 5,5-二甲基-1,3-环己二酮 以 乙醇 为溶剂， 反应 2.0h， 以85%的产率得到8-methyl-12-(2-chloro-6-methyl-quinolin-3-yl)-3,3-dimethyl-2,3,4,12-tetrahydro-benzo[4,5]thiazolo[2,3-b]quinazolin-1-one
  参考文献：
  名称：

  One-Pot, Multicomponent Condensation Reaction in Neutral Conditions: Synthesis, Characterization, and Biological Studies of Fused Thiazolo[2,3-b]quinazolinone Derivatives

  摘要：

  A new series of 12-(2-chloro-6-quinoline-3-yl)-3,3,8-substituted-2,3,4,12-tetrahydro-benzo[4,5]thiazolo[2,3-b]quinazolin-1-ones 4 was synthesized in one pot by condensing various 2-chloro-3-formylquinolines 1, 2-amino-6-substituted-benzothiazoles 2, and 1,3-cyclohexanedione 3 in ethanol. All the compounds were characterized by IR, H-1 NMR, C-13 NMR spectra and elemental analysis. All the synthesized compounds were screened for their antibacterial activity against Grampositive bacterial species Bacillus cereus and Bacillus substilus, Gram-negative bacterial species Escherichia coli, and their fungicidal activity against Aspergillus niger, Fuserium oxisporum, and Rhizopus species.

  DOI：

  10.1080/10426500802583504

文献信息

• One-Pot, Multicomponent Condensation Reaction in Neutral Conditions: Synthesis, Characterization, and Biological Studies of Fused Thiazolo[2,3-b]quinazolinone Derivatives
  作者：Nirav K. Shah、Manish P. Patel、Ranjan G. Patel

  DOI：10.1080/10426500802583504

  日期：2009.10.13

  A new series of 12-(2-chloro-6-quinoline-3-yl)-3,3,8-substituted-2,3,4,12-tetrahydro-benzo[4,5]thiazolo[2,3-b]quinazolin-1-ones 4 was synthesized in one pot by condensing various 2-chloro-3-formylquinolines 1, 2-amino-6-substituted-benzothiazoles 2, and 1,3-cyclohexanedione 3 in ethanol. All the compounds were characterized by IR, H-1 NMR, C-13 NMR spectra and elemental analysis. All the synthesized compounds were screened for their antibacterial activity against Grampositive bacterial species Bacillus cereus and Bacillus substilus, Gram-negative bacterial species Escherichia coli, and their fungicidal activity against Aspergillus niger, Fuserium oxisporum, and Rhizopus species.