3-trichloromethyl-4-chloro-5-piperidinoisothiazole | 131947-12-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-trichloromethyl-4-chloro-5-piperidinoisothiazole
• 英文别名: 4-chloro-5-piperidino-3-trichloromethylisothiazole；1-(4-Chloro-3-(trichloromethyl)-5-isothiazolyl)piperidine；4-chloro-5-piperidin-1-yl-3-(trichloromethyl)-1,2-thiazole
• CAS: 131947-12-1
• 化学式: C₉H₁₀Cl₄N₂S
• 分子量: 320.07
• InChiKey: IXONEFLPCMNSRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  44.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  哌啶 、 4,5-二氯-3-(三氯甲基)-1,2-噻唑 以 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 以96%的产率得到3-trichloromethyl-4-chloro-5-piperidinoisothiazole
  参考文献：
  名称：

  Reaction of 4,5-dichloro-3-trichloromethylisothiazole with heterocyclic amines

  摘要：

  4,5-Dichloro-3-trichloromethylisothizole reacted with piperidine, morpholine, pyrrolidine, and piperazine in DMF to give 81-96% of the corresponding 5-amino-4-chloro-3-trichloromethylisothiazoles as a result of selective nucleophilic replacement of the 5-chlorine atom. Acylation of 4-chloro-5-(piperazin-1-yl)-3-trichloromethylsothiazole with acetyl chloride gave 4-cliloro-5-(4-acetylpiperazin-1-yl)-3-trichloromethylisothiazole.

  DOI：

  10.1134/s1070428008080186

文献信息

• Kaberdia, R. V.; Potkin, V. I.; Ol'dekop, Yu. A., Journal of Organic Chemistry USSR (English Translation), 1990, vol. 26, # 7.2, p. 1347 - 1351
  作者：Kaberdia, R. V.、Potkin, V. I.、Ol'dekop, Yu. A.

  DOI：——

  日期：——
• KABERDIN, R. V.;POTKIN, V. I.;OLDEKOP, YU. A., ZH. ORGAN. XIMII, 26,(1990) N, S. 1560-1566
  作者：KABERDIN, R. V.、POTKIN, V. I.、OLDEKOP, YU. A.

  DOI：——

  日期：——
• Reaction of 4,5-dichloro-3-trichloromethylisothiazole with heterocyclic amines
  作者：V. I. Potkin、Yu. S. Zubenko、S. K. Petkevich

  DOI：10.1134/s1070428008080186

  日期：2008.8

  4,5-Dichloro-3-trichloromethylisothizole reacted with piperidine, morpholine, pyrrolidine, and piperazine in DMF to give 81-96% of the corresponding 5-amino-4-chloro-3-trichloromethylisothiazoles as a result of selective nucleophilic replacement of the 5-chlorine atom. Acylation of 4-chloro-5-(piperazin-1-yl)-3-trichloromethylsothiazole with acetyl chloride gave 4-cliloro-5-(4-acetylpiperazin-1-yl)-3-trichloromethylisothiazole.