bromo-(2,4,5-trichloro-phenyl)-acetyl isocyanate | 342426-16-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: bromo-(2,4,5-trichloro-phenyl)-acetyl isocyanate
• 英文别名: 2-Brom-2-(2,4,5-trichlorphenyl)-acetylisocyanat；2-Bromo-2-(2,4,5-trichlorophenyl)acetyl isocyanate
• CAS: 342426-16-8
• 化学式: C₉H₃BrCl₃NO₂
• 分子量: 343.391
• InChiKey: MXAPYNOIIFGGQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  46.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  bromo-(2,4,5-trichloro-phenyl)-acetyl isocyanate 在 sodium hydride 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 1-(5-nitro-thiazol-2-yl)-5-(2,4,5-trichloro-phenyl)-imidazolidine-2,4-dione
  参考文献：
  名称：

  Antischistosomal effects of 5-(2,4,5-trichlorophenyl)hydantoin and related compounds

  摘要：

  5-(2,4,5-Trichlorophenyl)hydantoin and several analogues effected an 80-90% reduction of live schistosomes in infected mice at doses ranging from 265 to 329 mg/kg per day when administered orally in the diet for 14 days. The sodium salt of 5-(2,4,5-trichlorophenyl)hydantoin, when given by gavage to rhesus monkeys infected with Schistosoma mansoni at 200 mg/kg/day for 5 or 10 days, removed all but a few live worms with no evidence of intolerance.

  DOI：

  10.1021/jm00222a006
• 作为产物：
  描述：

  2-Brom-2-(2,4,5-trichlorphenyl)-acetamid 、 草酰氯 以 1,2-二氯乙烷 为溶剂， 生成 bromo-(2,4,5-trichloro-phenyl)-acetyl isocyanate
  参考文献：
  名称：

  Antischistosomal effects of 5-(2,4,5-trichlorophenyl)hydantoin and related compounds

  摘要：

  5-(2,4,5-Trichlorophenyl)hydantoin and several analogues effected an 80-90% reduction of live schistosomes in infected mice at doses ranging from 265 to 329 mg/kg per day when administered orally in the diet for 14 days. The sodium salt of 5-(2,4,5-trichlorophenyl)hydantoin, when given by gavage to rhesus monkeys infected with Schistosoma mansoni at 200 mg/kg/day for 5 or 10 days, removed all but a few live worms with no evidence of intolerance.

  DOI：

  10.1021/jm00222a006

文献信息

• WERBEL L. M.; ELSLAGER E. F.; ISLIP P. J.; CLOSIER M. D., J. MED. CHEM. <JMCM-AR>, 1977, 20, NO 12, 1569-1572
  作者：WERBEL L. M.、 ELSLAGER E. F.、 ISLIP P. J.、 CLOSIER M. D.

  DOI：——

  日期：——
• Antischistosomal effects of 5-(2,4,5-trichlorophenyl)hydantoin and related compounds
  作者：Leslie M. Werbel、Edward F. Elslager、Peter J. Islip、M. D. Closier

  DOI：10.1021/jm00222a006

  日期：1977.12

  5-(2,4,5-Trichlorophenyl)hydantoin and several analogues effected an 80-90% reduction of live schistosomes in infected mice at doses ranging from 265 to 329 mg/kg per day when administered orally in the diet for 14 days. The sodium salt of 5-(2,4,5-trichlorophenyl)hydantoin, when given by gavage to rhesus monkeys infected with Schistosoma mansoni at 200 mg/kg/day for 5 or 10 days, removed all but a few live worms with no evidence of intolerance.