1-acetyl-5-bromo-2-(4-chlorophenyl)-4-phenylimidazole | 162699-94-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-acetyl-5-bromo-2-(4-chlorophenyl)-4-phenylimidazole
• 英文别名: 1-[5-Bromo-2-(4-chlorophenyl)-4-phenylimidazol-1-yl]ethanone
• CAS: 162699-94-7
• 化学式: C₁₇H₁₂BrClN₂O
• 分子量: 375.652
• InChiKey: QUYQBKVBCROFNA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PEST CONTROL DRUG
  申请人：NIPPON SODA CO., LTD.

  公开号：EP0712847A1

  公开（公告）日：1996-05-22

  An imidazole derivative represented by general formula [I], which has insecticidal, acaricidal and agrohorticultural bactericidal activities, wherein R¹ represents phenyl which may be substituted by halogen, C₁-C₆ alkyl, C₁-C₆ haloalkyl, C₁-C₆ alkoxy, C₁-C₆ haloalkoxy, C₁-C₆-alkoxy-substituted C₁-C₆ alkoxy, optionally substituted phenyl, optionally substituted pyridyl, optionally substituted phenoxy, optionally substituted pyridyloxy, C₂-C₆ alkenyloxy, C₂-C₆ haloalkenyloxy, C₂-C₆ alkynyloxy, C₂-C₆ haloalkylnyloxy, nitro, C₁-C₆ alkylthio, C₁-C₆ alkylsulfinyl, C₁-C₆ alkylsulfonyl, di(C₁-C₆ alkyl) sulfamoyl, cyano, C₁-C₆ alkoxycarbonyl or C₁-C₆ alkylcarbonyl, or which may be fused with a benzene ring to form naphthyl; R² represents C₁-C₆ alkoxycarbonyl, C₁-C₆-alkoxy-substituted C₁-C₆ alkoxycarbonyl, cyano r¹r²NCO (wherein r¹ and r² represent each hydrogen, C₁-C₆ alkyl or optionally substituted phenyl), C₁-C₆ alkylthiocarbonyl, C₁-C₆ alkoxycarboimidoyl, carboxy, halogen, C₁-C₆ haloalkyl, formyl or nitro; R³ represents hydrogen, optionally halogenated phenyl, C₁-C₆ haloalkyl, C₁-C₁₂ alkyl, benzoyl, C₁-C₆ alkoxycarbonyl, C₁-C₆ alkylcarbonyl, aralkyl or C₃-C₇ cycloalkyl; and R⁴ represents hydrogen, C₁-C₆ alkyl (which may be substituted by C₁-C₆ alkoxy, optionally substituted aralkyloxy, C₁-C₆-alkoxy-substituted C₁-C₆ alkoxy, C₁-C₆ acyloxy, C₁-C₆ alkoxycarbonyloxy, C₁-C₆ acylamido, C₂-C₆ alkenyloxy, C₂-C₆ alkynyloxy, r³SOn (wherein r³ represents C₁-C₆ alkyl or optionally substituted phenyl, and n represents an integer of 0 to 2), optionally substituted benzoyl, C₁-C₆ alkoxycarbonyl, di(C₁-C₆ alkyl) phosphinyl, cyano or thiocyanato), aralkyl, C₂-C₆ alkenyl, C₂-C₆ alkynyl, C₁-C₆ alkylcarbonyl or cyano, provided R² and R⁴ may form together a ring.

  通式[I]代表的咪唑衍生物，具有杀虫、杀螨剂和农用园艺杀菌活性，其中 R¹ 代表可被卤素取代的苯基、C₁-C₆烷基、C₁-C₆卤代烷基、C₁-C₆烷氧基、C₁-C₆卤代烷氧基、C₁-C₆-烷氧基取代的 C₁-C₆烷氧基、任选取代的苯基、任选取代的吡啶基、C₂-C₆烯氧基、C₂-C₆卤代烯氧基、C₂-C₆炔氧基、C₂-C₆卤代炔氧基、硝基、C₁-C₆烷硫基、C₁-C₆烷基亚磺酰基、C₁-C₆烷基磺酰基、二（C₁-C₆烷基）氨基磺酰基、氰基、C₁-C₆烷氧基羰基或 C₁-C₆烷基羰基，或可与苯环融合形成萘基；R² 代表 C₁-C₆烷氧基羰基、C₁-C₆-烷氧基取代的 C₁-C₆ 烷氧基羰基、氰基 r¹r²NCO（其中 r¹ 和 r² 各自代表氢、C₁-C₆烷基或任选取代的苯基）、C₁-C₆烷硫基羰基、C₁-C₆烷氧基羰酰亚胺基、羧基、卤素、C₁-C₆卤代烷基、甲酰基或硝基；R³ 代表氢、任选卤代苯基、C₁-C₆卤代烷基、C₁-C₁₂烷基、苯甲酰基、C₁-C₆烷氧基羰基、C₁-C₆烷基羰基、芳基或 C₃-C₇ 环烷基；R⁴ 代表氢、C₁-C₆ 烷基（可被 C₁-C₆烷氧基、任选取代的芳烷氧基取代、C₁-C₆-烷氧基取代的 C₁-C₆烷氧基、C₁-C₆酰氧基、C₁-C₆烷氧基羰基氧基、C₁-C₆酰氨基、C₂-C₆烯氧基、C₂-C₆炔氧基、r³SOn（其中 r³ 代表 C₁-C₆烷基或任选取代的苯基，n 代表 0 至 2 的整数）、任选取代的苯甲酰基、C₁-C₆烷氧羰基、二（C₁-C₆烷基）膦酰基、氰基或硫氰酸基）、芳烷基、C₂-C₆烯基、C₂-C₆炔基、C₁-C₆烷基羰基或氰基，条件是 R² 和 R⁴ 可共同形成一个环。