2-bromo-5-(methylthiomethyl)thiazole | 1092391-06-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-bromo-5-(methylthiomethyl)thiazole
• 英文别名: 2-Bromo-5-(methylsulfanylmethyl)-1,3-thiazole
• CAS: 1092391-06-4
• 化学式: C₅H₆BrNS₂
• 分子量: 224.145
• InChiKey: YZXHBIJOMUVWCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  66.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  氰胺 、 2-bromo-5-(methylthiomethyl)thiazole 在 碘苯二乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以85%的产率得到N-cyano-S-methyl-S-[(2-bromo-1,3-thiazol-5-yl)methyl] sulfilimine
  参考文献：
  名称：

  Synthesis and Insecticidal Activity of N-Substituted (1,3-Thiazole)alkyl Sulfoximine Derivatives

  摘要：

  The N-substituted alkyl sulfoximine derivatives are a new chemical family of neonicotinoid insecticides. We have designed and synthesized 10 (1,3-thiazole)alkyl sulfoximine derivatives. All compounds were identified by H-1 and C-13 nuclear magnetic resonance (NMR), IR, and elemental analyses. Preliminary bioassays indicated that some title compounds exhibited good insecticidal activities at 10 mg/L against Myzus persicae. The relationship between structure and biological activity was also discussed.

  DOI：

  10.1021/jf802802g
• 作为产物：
  描述：

  2-溴-5-甲基噻唑 、 sodium thiomethoxide 、 alkaline earth salt of/the/ methylsulfuric acid 以 四氯化碳 、 乙醇 为溶剂， 反应 2.0h， 以92%的产率得到2-bromo-5-(methylthiomethyl)thiazole
  参考文献：
  名称：

  Synthesis and Insecticidal Activity of N-Substituted (1,3-Thiazole)alkyl Sulfoximine Derivatives

  摘要：

  The N-substituted alkyl sulfoximine derivatives are a new chemical family of neonicotinoid insecticides. We have designed and synthesized 10 (1,3-thiazole)alkyl sulfoximine derivatives. All compounds were identified by H-1 and C-13 nuclear magnetic resonance (NMR), IR, and elemental analyses. Preliminary bioassays indicated that some title compounds exhibited good insecticidal activities at 10 mg/L against Myzus persicae. The relationship between structure and biological activity was also discussed.

  DOI：

  10.1021/jf802802g