1-(4-chlorophenyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 1-(4-chlorophenyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
• 英文别名: 1-(4-chlorophenyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
• 化学式: C₁₈H₂₀ClNO₂
• 分子量: 317.815
• InChiKey: ATGJSVOKYLJANK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  21.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3,4-二甲氧基苯乙胺 在 T406石油添加剂 、 三氟乙酸 作用下， 以 甲醇 、 水 、 甲苯 为溶剂， 反应 10.33h， 生成 1-(4-chlorophenyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
  参考文献：
  名称：

  Synthesis, antibacterial activity and QSAR studies of 1,2-disubstituted-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolines

  摘要：

  Some new substituted-tetrahydroisoquinoline derivatives were synthesized and evaluated for their in vitro antimicrobial activities against the standard Gram positive and Gram negative strains: Staphylococcus aureus (ATCC 25923), S. epidermidis (WHO-6), Escherichia coli (ATCC 25922), Pseudomonas aeruginosa (ATCC 27853), 1-aryl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline 4a-c proved to be effective with MIC 3.5-20 (mu g ml(-1)). Quantitative structure activity relationship (QSAR) studies with multiple linear regression analysis were applied to find correlation between different calculated molecular descriptors of the synthesized compounds and biological activity. (c) 2005 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2005.10.010

文献信息

• Synthesis, antibacterial activity and QSAR studies of 1,2-disubstituted-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolines
  作者：R TIWARI、D SINGH、J SINGH、A CHHILLAR、R CHANDRA、A VERMA

  DOI：10.1016/j.ejmech.2005.10.010

  日期：2006.1

  Some new substituted-tetrahydroisoquinoline derivatives were synthesized and evaluated for their in vitro antimicrobial activities against the standard Gram positive and Gram negative strains: Staphylococcus aureus (ATCC 25923), S. epidermidis (WHO-6), Escherichia coli (ATCC 25922), Pseudomonas aeruginosa (ATCC 27853), 1-aryl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline 4a-c proved to be effective with MIC 3.5-20 (mu g ml(-1)). Quantitative structure activity relationship (QSAR) studies with multiple linear regression analysis were applied to find correlation between different calculated molecular descriptors of the synthesized compounds and biological activity. (c) 2005 Elsevier SAS. All rights reserved.