4-chloro-2-cyano-1-dimethylsulfamoyl-5-phenylimidazole | 120116-87-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-chloro-2-cyano-1-dimethylsulfamoyl-5-phenylimidazole
• 英文别名: 4-Chloro-2-cyano-N,N-dimethyl-5-phenyl-1H-imidazole-1-sulfonamide；4-chloro-2-cyano-N,N-dimethyl-5-phenylimidazole-1-sulfonamide
• CAS: 120116-87-2
• 化学式: C₁₂H₁₁ClN₄O₂S
• 分子量: 310.764
• InChiKey: DNYQVSBOGCMIDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  87.4
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• Imidazole compounds and biocidal compositions comprising the same
  申请人：ISHIHARA SANGYO KAISHA, LTD.

  公开号：EP0298196A1

  公开（公告）日：1989-01-11

  Imidazole compounds represented by general formula I: wherein: R, represents a cyano group or a -CSNHR5 group, wherein R5 represents a hydrogen atom, a C1-4alkyl group, or a -COR6 group, wherein R6 represents a C1-4 alkyl group, a halogenated C1-4 alkyl group, or a phenyl group; R2 and R3 each represents a hydrogen atom; a halogen atom; a nitro group; a cyano group; a trimethylsilyl group; a C3.6 cycloalkyl group; a naphthyl group; an optionally substituted C1-12 alkyl. C2-10 alkenyl, C1-6 alkoxy, phenyl, furyl, thionyl or pyridyl group; an-SOnR7 group, wherein R7 represents a C1-6 alkyl, C2-6 alkenyl , benzyl, an optionally substituted phenyl or pyridyl group; an - NR8R9 group, group, wherein R8 and Rg each represents a C1-4 alkyl group, and n is 0, 1, or 2; or a -CO(NH)mR10 gorup, wherein R10 represents an optionally substituted C1-4alkyl, C1-4 alkoxy or phenyl group and m is 0 or 1; and R4 represents a C1-6 alkyl group which is optionally substituted with one or more halogen atoms; a C3-6 cycloalkyl group; a phenyl group; a thienyl group; or an -NR11R12 group, wherein R11 and R12 each represents a hydrogen atom, a C1-4 alkyl group which is optionally substituted with one or more halogen atoms, a C2-4 alkenyl group, or R11 and R12 are combined with each other together with a nitrogen atom adjacent thereto to form a pyrrolidinyl group, a piperidinyl group, a morpholino group, or a thiomorpholino group, provided that R" and R12 are not simultaneously a hydrogen atom; provided that R2 and R3 are not simultaneously a halogen atom. The compounds are effective as biocides.

  通式 I 所代表的咪唑化合物： 其中 R代表氰基或-CSNHR5基团，其中R5代表氢原子、C1-4烷基或-COR6基团，其中R6代表C1-4烷基、卤代C1-4烷基或苯基； R2 和 R3 分别代表氢原子、卤素原子、硝基、氰基、三甲基硅基、C3.6 环烷基、萘基、任选取代的 C1-12 烷基、C2-10 烯基、C1-4-烷基、C1-4-烷基卤代物或苯基。C2-10烯基、C1-6烷氧基、苯基、呋喃基、亚硫酰基或吡啶基； -SOnR7基团，其中R7代表C1-6烷基、C2-6烯基、苄基、任选取代的苯基或吡啶基；一个-NR8R9 基团，其中 R8 和 Rg 分别代表一个 C1-4 烷基，且 n 为 0、1 或 2；或一个-CO(NH)mR10 基团，其中 R10 代表一个任选取代的 C1-4 烷基、C1-4 烷氧基或苯基，且 m 为 0 或 1；以及 R4 代表任选被一个或多个卤素原子取代的 C1-6 烷基；C3-6 环烷基；苯基；噻吩基；或 -NR11R12 基团，其中 R11 和 R12 各自代表氢原子、任选被一个或多个卤素原子取代的 C1-4 烷基、C2-4 烯基，或 R11 和 R12 与相邻的氮原子相互结合形成吡咯烷基、哌啶基、吗啉基或硫代吗啉基，但 R" 和 R12 不能同时代表氢原子； 只要 R2 和 R3 不是同时为卤素原子。这些化合物具有杀菌效果。
• Imidazole compound and process for preparing the same
  申请人：ISHIHARA SANGYO KAISHA, Ltd.

  公开号：EP0365030A1

  公开（公告）日：1990-04-25

  An imidazole compound is disclosed, which is represented by formula (I): wherein: X represents a -COOT group, in which T represents a hydrogen atom, an alkyl group, a benzyl group, or a phenyl group; or a -CONH₂ group, Y represents a hydrogen atom, a chlorine atom, or a bromine atom, Z represents an alkyl group containing from 2 to 6 carbon atoms, which may be substituted with one or more halogen atoms; or a phenyl group which may be substituted with one or more halogen atoms or alkyl groups, and Q represeents a hydrogen atom; an -SO₂R¹group, in which R¹ represents an alkyl group, a dialkylamino group, or a phenyl group which may be substituted with one or more alkyl groups; or a -CH(R²) (R³) group, in which R² represents a hydrogen atom, a methyl group, or an alkoxy group, and R³ represents an alkoxy group, an -OCH₂CH₂Si(CH₃)₃ group, or a phenyl group which may be substituted with one or more alkyl groups or alkoxy groups, provided that when Y and Q each represents a hydrogen atom and Z represents a phenyl group, X represents a group other than a -COOH group, a -COO-phenyl group, and a -CONH₂ group; and that when Y and Q each represents a hydrogen atom and Z represents an n-C₅H₁₁ group, X represents a group other than a -COOH group and a -COOC₂H₅ group. Processes for preparing imidazole compounds are also disclosed. The imidazole compounds are useful as an intermediate for production of biocides for controlling harmful organisms in the agricultural and horticultural areas, or medical and pharmaceutical fungicides.

  本发明公开了一种咪唑化合物，由式(I)表示： 其中 X代表-COOT基团，其中T代表氢原子、烷基、苄基或苯基；或代表-CONH₂基团、 Y 代表氢原子、氯原子或溴原子、 Z 代表含有 2 至 6 个碳原子的烷基，可被一个或多个卤素原子取代；或代表可被一个或多个卤素原子或烷基取代的苯基，以及 Q 代表氢原子；-SO₂R¹ 基团，其中 R¹ 代表烷基、二烷基氨基或可被一个或多个烷基取代的苯基；或-CH(R²) (R³)基团，其中 R² 代表氢原子、甲基或烷氧基，R³ 代表烷氧基、-OCH₂CH₂Si(CH₃)₃基团或可被一个或多个烷基或烷氧基取代的苯基、 条件是当 Y 和 Q 各代表一个氢原子且 Z 代表一个苯基时，X 代表一个除-COOH 基团、-COO-苯基基团和-CONH₂基团以外的基团；当 Y 和 Q 各代表一个氢原子且 Z 代表一个 n-C₅H₁₁ 基团时，X 代表一个除-COOH 基团和-COOC₂H₅基团以外的基团。 本发明还公开了制备咪唑化合物的工艺。 咪唑化合物可用作生产用于控制农业和园艺领域有害生物的杀菌剂或医用和药用杀菌剂的中间体。
• Biocidal composition
  申请人：ISHIHARA SANGYO KAISHA, Ltd.

  公开号：EP0337103B1

  公开（公告）日：1993-02-10
• Processes for producing 1-substituted 2-cyanoimidazole compounds
  申请人：ISHIHARA SANGYO KAISHA LTD.

  公开号：EP0765872B1

  公开（公告）日：1999-12-01
• US4995898A
  申请人：——

  公开号：US4995898A

  公开（公告）日：1991-02-26