2-[5-Chloro-4-(toluene-4-sulfonyl)-thiazol-2-yl]-1,2,3,4-tetrahydro-isoquinoline

• 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: 2-[5-Chloro-4-(toluene-4-sulfonyl)-thiazol-2-yl]-1,2,3,4-tetrahydro-isoquinoline
• 英文别名: 2-{5-Chloro-4-[(4-methylphenyl)sulfonyl]-1,3-thiazol-2-yl}-1,2,3,4-tetrahydroisoquinoline；5-chloro-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-thiazole
• 化学式: C₁₉H₁₇ClN₂O₂S₂
• mdl: MFCD02696767
• 分子量: 404.941
• InChiKey: SMUDPLMWQILIOO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  86.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  四氢异喹啉 、 2,2-dichloro-1-p-tolylsulfonylethenyl isothiocyanate 以 乙醇 为溶剂， 反应 6.0h， 以86%的产率得到2-[5-Chloro-4-(toluene-4-sulfonyl)-thiazol-2-yl]-1,2,3,4-tetrahydro-isoquinoline
  参考文献：
  名称：

  摘要：

  Treatment of 1-tosyl-2,2-dichloroethenyl isothiocyanate with alcohols, thiols, primary and secondary amines, hydrazine and its derivatives, and phosphonium ylides results in addition of the O-, S-, N-, or C-nucleophilic center to the isothiocyanate, group, followed by cyclocondensation with elimination of hydrogen chloride and formation of the corresponding 2-functionally substituted 4-tosyl-5-chloro-1,3-thiazoles. Further transformations of these compounds were studied, and a series of previously unknown types of 3-functionally substituted 1,3-thiazole derivatives were prepared.

  DOI：

  10.1023/a:1023337112138