N-[2-(propyn-1-yl)-phenylsulfonyl]-N'-(4,6-dimethoxypyrimidin-2-yl)urea

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-[2-(propyn-1-yl)-phenylsulfonyl]-N'-(4,6-dimethoxypyrimidin-2-yl)urea
• 英文别名: 1-(4,6-Dimethoxypyrimidin-2-yl)-3-(2-prop-1-ynylphenyl)sulfonylurea
• 化学式: C₁₆H₁₆N₄O₅S
• 分子量: 376.393
• InChiKey: JNMGVENTLJKLDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  128
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-(1-丙炔-1-基)苯磺酰胺 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 在 盐酸 作用下， 以 1,4-二氧六环 、 ice-water 、 phenyl N-(4,6-dimethoxypyridin-2-yl)carbamate 、 乙酸乙酯 为溶剂， 生成 N-[2-(propyn-1-yl)-phenylsulfonyl]-N'-(4,6-dimethoxypyrimidin-2-yl)urea
  参考文献：
  名称：

  N-phenylsulfonyl-N'-pyrimidinylureas

  摘要：

  通式I的N-苯磺酰-N'-嘧啶基脲和N-苯磺酰-N'-三嗪基脲中，A是公式--C.tbd.C--R的基团，m为1或2，E是甲基基团或氮，Z是氧或硫，R为氢；未取代或取代的支链或直链C.sub.1-C.sub.9烷基；未取代或取代的C.sub.3-C.sub.9环烷基；未取代或取代的苯基；或未取代或取代的5-或6-成员芳香杂环环，R.sub.1为氢、卤素、C.sub.1-C.sub.5烷基、C.sub.2-C.sub.5烯基或基团--Y--R.sub.5，R.sub.2为氢、卤素、C.sub.1-C.sub.5烷基、C.sub.2-C.sub.5烯基、C.sub.1-C.sub.4卤代烷基或基团--Y--R.sub.5，--COOR.sub.6、--NO.sub.2或--CO--NR.sub.7--R.sub.8，R.sub.3和R.sub.4，各自独立地为氢、C.sub.1-C.sub.4烷基、C.sub.1-C.sub.4烷氧基、C.sub.1-C.sub.4烷硫基、C.sub.1-C.sub.4卤代烷基、C.sub.1-C.sub.4卤代烷氧基、C.sub.1-C.sub.4卤代烷硫基、卤素、C.sub.2-C.sub.5烷氧基烷基、--NR.sub.9R.sub.10或--O--CH.sub.2--CH.sub.2--NR.sub.9R.sub.10，R.sub.5和R.sub.6，各自独立地为C.sub.1-C.sub.5烷基、C.sub.2-C.sub.5烯基或C.sub.2-C.sub.6炔基、C.sub.1-C.sub.5卤代烷基、C.sub.2-C.sub.5卤代烯基或C.sub.2-C.sub.6烷氧基烷基，R.sub.7和R.sub.8，各自独立地为氢、C.sub.1-C.sub.5烷基、C.sub.2-C.sub.5烯基或C.sub.2-C.sub.6炔基，R.sub.9为氢、甲基或乙基，R.sub.10为氢、C.sub.1-C.sub.4烷基、C.sub.1-C.sub.4烷氧基、甲氧基甲基、氰基甲基、氰基乙基、C.sub.3-C.sub.5烯基或C.sub.3-C.sub.6炔基，Y为氧、硫、亚砜或磺酰桥，这些化合物与胺、碱金属基或碱土金属基或季铵基的盐具有良好的预除草和后除草选择性除草剂和生长调节剂性能。

  公开号：

  US04537618A1

文献信息

• N-Phenylsulfonyl-N'-pyrimidinyl- und -triazinylharnstoffe
  申请人：CIBA-GEIGY AG

  公开号：EP0096002B1

  公开（公告）日：1987-07-29
• US4537618A
  申请人：——

  公开号：US4537618A

  公开（公告）日：1985-08-27
• US4594097A
  申请人：——

  公开号：US4594097A

  公开（公告）日：1986-06-10
• US4727186A
  申请人：——

  公开号：US4727186A

  公开（公告）日：1988-02-23
• N-phenylsulfonyl-N'-pyrimidinylureas
  申请人：Ciba Geigy Corporation

  公开号：US04537618A1

  公开（公告）日：1985-08-27

  N-Phenylsulfonyl-N'-pyrimidinylureas and N-phenylsulfonyl-N'-triazinylureas of the general formula I ##STR1## wherein A is a radical of the formula --C.tbd.C--R, m is 1 or 2, E is the methine group or nitrogen, Z is oxygen or sulfur, R is hydrogen; unsubstituted or substituted, branched or unbranched C.sub.1 -C.sub.9 alkyl; unsubstituted or substituted C.sub.3 -C.sub.9 cycloalkyl; unsubstituted or substituted phenyl; or an unsubstituted or substituted 5- or 6-membered aromatic heterocyclic ring, R.sub.1 is hydrogen, halogen, C.sub.1 -C.sub.5 alkyl, C.sub.2 -C.sub.5 alkenyl or a radical --Y--R.sub.5, R.sub.2 is hydrogen, halogen, C.sub.1 -C.sub.5 alkyl, C.sub.2 -C.sub.5 alkenyl, C.sub.1 -C.sub.4 haloalkyl, or a radical --Y--R.sub.5, --COOR.sub.6, --NO.sub.2 or --CO--NR.sub.7 --R.sub.8, R.sub.3 and R.sub.4, each independently of the other, are hydrogen, C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 alkoxy, C.sub.1 -C.sub.4 alkylthio, C.sub.1 -C.sub.4 haloalkyl, C.sub.1 -C.sub.4 haloalkoxy, C.sub.1 -C.sub.4 haloalkylthio, halogen, C.sub.2 -C.sub.5 alkoxyalkyl, --NR.sub.9 R.sub.10 or --O--CH.sub.2 --CH.sub.2 --NR.sub.9 R.sub.10, R.sub.5 and R.sub.6, each independently of the other, are C.sub.1 -C.sub.5 alkyl, C.sub.2 -C.sub.5 alkenyl or C.sub.2 -C.sub.6 alkynyl, C.sub.1 -C.sub.5 haloalkyl, C.sub.2 -C.sub.5 haloalkenyl or C.sub.2 -C.sub.6 alkoxyalkyl, R.sub.7 and R.sub.8, each independently of the other, are hydrogen, C.sub.1 -C.sub.5 alkyl, C.sub.2 -C.sub.5 alkenyl or C.sub.2 -C.sub.6 alkynyl, R.sub.9 is hydrogen, methyl or ethyl, R.sub.10 is hydrogen, C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 alkoxy, methoxymethyl, cyanomethyl, cyanoethyl, C.sub.3 -C.sub.5 alkenyl or C.sub.3 -C.sub.6 alkynyl, and Y is oxygen, sulfur, a sulfinyl or sulfonyl bridge and the salts of these compounds with amines, alkali metal bases or alkaline earth metal bases or with quaternary ammonium bases, have good preemergence and postemergence selective herbicidal and growth regulating properties.

  通式I的N-苯磺酰-N'-嘧啶基脲和N-苯磺酰-N'-三嗪基脲中，A是公式--C.tbd.C--R的基团，m为1或2，E是甲基基团或氮，Z是氧或硫，R为氢；未取代或取代的支链或直链C.sub.1-C.sub.9烷基；未取代或取代的C.sub.3-C.sub.9环烷基；未取代或取代的苯基；或未取代或取代的5-或6-成员芳香杂环环，R.sub.1为氢、卤素、C.sub.1-C.sub.5烷基、C.sub.2-C.sub.5烯基或基团--Y--R.sub.5，R.sub.2为氢、卤素、C.sub.1-C.sub.5烷基、C.sub.2-C.sub.5烯基、C.sub.1-C.sub.4卤代烷基或基团--Y--R.sub.5，--COOR.sub.6、--NO.sub.2或--CO--NR.sub.7--R.sub.8，R.sub.3和R.sub.4，各自独立地为氢、C.sub.1-C.sub.4烷基、C.sub.1-C.sub.4烷氧基、C.sub.1-C.sub.4烷硫基、C.sub.1-C.sub.4卤代烷基、C.sub.1-C.sub.4卤代烷氧基、C.sub.1-C.sub.4卤代烷硫基、卤素、C.sub.2-C.sub.5烷氧基烷基、--NR.sub.9R.sub.10或--O--CH.sub.2--CH.sub.2--NR.sub.9R.sub.10，R.sub.5和R.sub.6，各自独立地为C.sub.1-C.sub.5烷基、C.sub.2-C.sub.5烯基或C.sub.2-C.sub.6炔基、C.sub.1-C.sub.5卤代烷基、C.sub.2-C.sub.5卤代烯基或C.sub.2-C.sub.6烷氧基烷基，R.sub.7和R.sub.8，各自独立地为氢、C.sub.1-C.sub.5烷基、C.sub.2-C.sub.5烯基或C.sub.2-C.sub.6炔基，R.sub.9为氢、甲基或乙基，R.sub.10为氢、C.sub.1-C.sub.4烷基、C.sub.1-C.sub.4烷氧基、甲氧基甲基、氰基甲基、氰基乙基、C.sub.3-C.sub.5烯基或C.sub.3-C.sub.6炔基，Y为氧、硫、亚砜或磺酰桥，这些化合物与胺、碱金属基或碱土金属基或季铵基的盐具有良好的预除草和后除草选择性除草剂和生长调节剂性能。