3-(4-bromophenyl)-6-methylidene-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(4-bromophenyl)-6-methylidene-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
• 英文别名: 3-(4-Bromophenyl)-6-methylene-5,6-dihydrothiazolo[2,3-c][1,2,4]triazole；3-(4-bromophenyl)-6-methylidene-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole
• 化学式: C₁₁H₈BrN₃S
• 分子量: 294.175
• InChiKey: YZDWBTIYYVQCPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  56
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(4-bromophenyl)-6-methylidene-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole 在 溴 作用下， 以 四氯化碳 为溶剂， 反应 4.0h， 以68%的产率得到6-(bromomethyl)-3-(4-bromophenyl)[1,3]thiazolo[2,3-c][1,2,4]triazole
  参考文献：
  名称：

  Synthesis and properties of thiazolo[2,3-c][1,2,4]triazoles

  摘要：

  Effects of different factors on the electrophilic halocyclization of 3-substituted 4-allyl(or 2-methylprop-2-en-1-yl)-1,2,4-triazole-5(1H)-thiones were studied. The only reaction products were thiazolo[2,3-c]-[1,2,4]triazoles. Some their transformations afforded new derivatives that can find application in pharmacology.

  DOI：

  10.1134/s1070428015100206
• 作为产物：
  描述：

  6-(bromomethyl)-3-(4-bromophenyl)-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazole 在 potassium hydroxide 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以73%的产率得到3-(4-bromophenyl)-6-methylidene-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
  参考文献：
  名称：

  Synthesis and properties of thiazolo[2,3-c][1,2,4]triazoles

  摘要：

  Effects of different factors on the electrophilic halocyclization of 3-substituted 4-allyl(or 2-methylprop-2-en-1-yl)-1,2,4-triazole-5(1H)-thiones were studied. The only reaction products were thiazolo[2,3-c]-[1,2,4]triazoles. Some their transformations afforded new derivatives that can find application in pharmacology.

  DOI：

  10.1134/s1070428015100206

文献信息

• Synthesis and properties of thiazolo[2,3-c][1,2,4]triazoles
  作者：T. V. Kochikyan、M. A. Samvelyan、A. M. Petrosyan、P. D. Langer

  DOI：10.1134/s1070428015100206

  日期：2015.10

  Effects of different factors on the electrophilic halocyclization of 3-substituted 4-allyl(or 2-methylprop-2-en-1-yl)-1,2,4-triazole-5(1H)-thiones were studied. The only reaction products were thiazolo[2,3-c]-[1,2,4]triazoles. Some their transformations afforded new derivatives that can find application in pharmacology.