7-hexyloxy-4,5-dihydro-naphtho[1,2-d]thiazol-2-ylamine | 62325-17-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并噻唑类
• 英文名称: 7-hexyloxy-4,5-dihydro-naphtho[1,2-d]thiazol-2-ylamine
• 英文别名: 7-(Hexyloxy)-4,5-dihydronaphtho[1,2-d][1,3]thiazol-2-amine；7-hexoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
• CAS: 62325-17-1
• 化学式: C₁₇H₂₂N₂OS
• 分子量: 302.44
• InChiKey: QZYHWVCSOXJNOG-UHFFFAOYSA-N

物化性质

• 沸点：
  490.9±33.0 °C(Predicted)
• 密度：
  1.174±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  76.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  硫脲 、 6-(hexyloxy)-3,4-dihydronaphthalen-1(2H)-one 生成 7-hexyloxy-4,5-dihydro-naphtho[1,2-d]thiazol-2-ylamine
  参考文献：
  名称：

  Synthesis and antimicrobial activity of azasteroid-type compounds and related systems. Effect of hydrophilic and lipophilic groups on activity

  摘要：

  Pyrazole-, pyrazolone- and isoxazole-containing systems were prepared from 3,4-dihydro-6-(hexyloxy)-1(2H)-naphthalenone, 3,4-dihydro-6-(hexadecyloxy)-1(2H)-naphthalenone,3,4-dihydro-6(2-dimethylaminoethyloxy)-1-(2H)-naphthalenone, 3,4-dihydro-7-hexyloxy-1(2H)-phenanthrone, and 3,4-dihydro-7-(2-dimethylaminoethyloxy)-1(2H)-phenanthrone. A number of compounds derived from 7, 8-dihydro-5(6H)-quinolinone were also synthesized and characterized. Both hydrophilic and lipophilic groups were incorporated into certain systems as well as cidal groups. The compounds were screened for their in vitro inhibitory activity against Bacillus subtilis and Pseudomonas fluorescens. Structure-acitivity relationships among the molecular systems are discussed.

  DOI：

  10.1021/jm00215a009

文献信息

• Synthesis and antimicrobial activity of azasteroid-type compounds and related systems. Effect of hydrophilic and lipophilic groups on activity
  作者：K. Ramalingam、Larry F. Wong、K. Darrell Berlin、Rebecca A. Brown、Randy Fischer、Jim Blunk、N. N. Durham

  DOI：10.1021/jm00215a009

  日期：1977.5

  Pyrazole-, pyrazolone- and isoxazole-containing systems were prepared from 3,4-dihydro-6-(hexyloxy)-1(2H)-naphthalenone, 3,4-dihydro-6-(hexadecyloxy)-1(2H)-naphthalenone,3,4-dihydro-6(2-dimethylaminoethyloxy)-1-(2H)-naphthalenone, 3,4-dihydro-7-hexyloxy-1(2H)-phenanthrone, and 3,4-dihydro-7-(2-dimethylaminoethyloxy)-1(2H)-phenanthrone. A number of compounds derived from 7, 8-dihydro-5(6H)-quinolinone were also synthesized and characterized. Both hydrophilic and lipophilic groups were incorporated into certain systems as well as cidal groups. The compounds were screened for their in vitro inhibitory activity against Bacillus subtilis and Pseudomonas fluorescens. Structure-acitivity relationships among the molecular systems are discussed.