N-[2-(3,3,3-trifluoropropyl)-phenylsulfonyl]-N'-methylurea | 94125-43-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[2-(3,3,3-trifluoropropyl)-phenylsulfonyl]-N'-methylurea
• 英文别名: 1-methyl-3-[2-(3,3,3-trifluoropropyl)phenyl]sulfonylurea
• CAS: 94125-43-6
• 化学式: C₁₁H₁₃F₃N₂O₃S
• 分子量: 310.297
• InChiKey: OLQNSNSBYNGMBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  83.6
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-[2-(3,3,3-trifluoropropyl)-phenylsulfonyl]-N'-methylurea 在 solvent 作用下， 以 氯苯 为溶剂， 反应 1.5h， 生成 2-(3,3,3-trifluoropropyl)-phenylsulfonylisocyanate
  参考文献：
  名称：

  Phenylsulfonyl isocyanates and thioisocyanates

  摘要：

  化合物I的N-苯磺酰-N'-嘧啶基和-三嗪基脲的通式如下：##STR1## 其中A为3,3,3-三氟丙基或3,3-二氟丁基，R1为氢、卤素、硝基、氰基、C1-C4烷基、C1-C4卤代烷基、C1-C4烷氧基、C1-C4烷基硫基、C1-C4烷基磺酰基、C1-C4烷基磺酰基、--CO--R6、--NR7R8、--CO--NR9R10或--SO2--NR11R12，R2为氢、卤素、C1-C4烷基、C1-C4烷氧基、C1-C4烷基硫基、C1-C4烷基磺酰基或C1-C4烷基磺酰基，R3和R4各自独立地为氢、卤素、C1-C4烷基、C1-C4卤代烷基、C2-C4卤代烷氧基、C1-C4烷基硫基、C1-C4卤代烷基硫基、C2-C4烷氧基烷基、C1-C4烷氧基或--NR13R13，R5为氢、C1-C4烷基或C1-C4烷氧基，R6为C1-C4烷氧基、C1-C4卤代烷氧基、C1-C4烷基硫基、C2-C6烷氧基烷氧基、氢、C1-C4烷基或C1-C4卤代烷基，R7、R8、R9、R10、R11、R12和R13各自独立地为氢或C1-C4烷基，E为氮或甲基桥，Z为氧或硫；以及这些化合物的盐。

  公开号：

  US04952726A1

文献信息

• N-phenylsulfonyl-N'-triazinylureas
  申请人：Ciba-Geigy Corporation

  公开号：US04671819A1

  公开（公告）日：1987-06-09

  N-Phenylsulfonyl-N'-pyrimidinyl- and -triazinylureas of the formula I ##STR1## wherein A is 3,3,3-trifluoropropyl or 3,3-difluorobutyl, R.sup.1 is hydrogen, halogen, nitro, cyano, C.sub.1 -C.sub.4 -alkyl, C.sub.1 -C.sub.4 -haloalkyl, C.sub.1 -C.sub.4 -alkoxy, C.sub.1 -C.sub.4 -alkylthio, C.sub.1 -C.sub.4 -alkylsulfinyl, C.sub.1 -C.sub.4 -alkylsulfonyl, --CO--R.sup.6, --NR.sup.7 R.sup.8, --CO--NR.sup.9 R.sup.10 or --SO.sub.2 --NR.sup.11 R.sup.12, R.sup.2 is hydrogen, halogen, 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 -alkylsulfinyl or C.sub.1 -C.sub.4 -alkylsulfonyl, R.sup.3 and R.sup.4 independently of one another are each hydrogen, halogen, C.sub.1 -C.sub.4 -alkyl, C.sub.1 -C.sub.4 -haloalkyl, C.sub.2 -C.sub.4 -haloalkoxy, C.sub.1 -C.sub.4 -alkylthio, C.sub.1 -C.sub.4 -haloalkylthio, C.sub.2 -C.sub.4 -alkoxyalkyl, C.sub.1 -C.sub.4 -alkoxy or --NR.sup.12 R.sup.13, R.sup.5 is hydrogen, C.sub.1 -C.sub.4 -alkyl or C.sub.1 -C.sub.4 -alkoxy, R.sup.6 is C.sub.1 -C.sub.4 -alkoxy, C.sub.1 -C.sub.4 -haloalkoxy, C.sub.1 -C.sub.4 -alkylthio, C.sub.2 -C.sub.6 -alkoxyalkoxy, hydrogen, C.sub.1 -C.sub.4 -alkyl or C.sub.1 -C.sub.4 -haloalkyl, R.sup.7, R.sup.8, R.sup.9, R.sup.10, R.sup.11, R.sup.12 and R.sup.13 independently of one another are each hydrogen or C.sub.1 -C.sub.4 -alkyl, E is nitrogen, and Z is oxygen or sulfur; and also the salts of these compounds.

  化合物I的N-苯基磺酰-N'-嘧啶基-和-三嗪基脲的通式为：##STR1## 其中A为3,3,3-三氟丙基或3,3-二氟丁基，R1为氢、卤、硝基、氰基、C1-C4烷基、C1-C4卤代烷基、C1-C4烷氧基、C1-C4烷基硫醇基、C1-C4烷基亚磺酰基、C1-C4烷基磺酰基、-CO-R6、-NR7R8、-CO-NR9R10或-SO2-NR11R12，R2为氢、卤、C1-C4烷基、C1-C4烷氧基、C1-C4烷基硫醇基、C1-C4烷基亚磺酰基或C1-C4烷基磺酰基，R3和R4各自独立地为氢、卤、C1-C4烷基、C1-C4卤代烷基、C2-C4卤代烷氧基、C1-C4烷基硫醇基、C1-C4卤代烷基硫醇基、C2-C4烷氧基烷基、C1-C4烷氧基或-NR12R13，R5为氢、C1-C4烷基或C1-C4烷氧基，R6为C1-C4烷氧基、C1-C4卤代烷氧基、C1-C4烷基硫醇基、C2-C6烷氧基烷氧基、氢、C1-C4烷基或C1-C4卤代烷基，R7、R8、R9、R10、R11、R12和R13各自独立地为氢或C1-C4烷基，E为氮，Z为氧或硫；以及这些化合物的盐。
• Phenylsulfonyl isocyanates and thioisocyanates
  申请人：Ciba-Geigy Corporation

  公开号：US04952726A1

  公开（公告）日：1990-08-28

  N-Phenylsulfonyl-N'-pyrimidinyl- and -triazinylureas of the formula I ##STR1## wherein A is 3,3,3-trifluoropropyl or 3,3-difluorobutyl, R.sup.1 is hydrogen, halogen, nitro, cyano, C.sub.1 -C.sub.4 -alkyl, C.sub.1 -C.sub.4 -haloalkyl, C.sub.1 -C.sub.4 -alkoxy, C.sub.1 -C.sub.4 -alkylthio, C.sub.1 -C.sub.4 -alkylsulfonyl, C.sub.1 -C.sub.4 -alkylsulfonyl, --CO--R.sup.6, --NR.sup.7 R.sup.8, --CO--NR.sup.9 R.sup.10 or --SO.sub.2 --NR.sup.11 R.sup.12, R.sup.2 is hydrogen, halogen, 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 -alkysulfonyl or C.sub.1 -C.sub.4 -alkylsulfonyl, R.sup.3 and R.sup.4 independently of one another are each hydrogen, halogen, C.sub.1 -C.sub.4 -alkyl, C.sub.1 -C.sub.4 -haloalkyl, C.sub.2 -C.sub.4 -haloalkoxy, C.sub.1 -C.sub.4 -alkylthio, C.sub.1 -C.sub.4 -haloalkylthio, C.sub.2 -C.sub.4 -alkoxyalkyl, C.sub.1 -C.sub.4 -alkoxy or --NR.sup.13 R.sup.13, R.sup.5 is hydrogen, C.sub.1 -C.sub.4 -alkyl or C.sub.1 -C.sub.4 -alkoxy, R.sup.6 is C.sub.1 -C.sub.4 -alkoxy, C.sub.1 -C.sub.4 -haloalkoxy, C.sub.1 -C.sub.4 -alkylthio, C.sub.2 -C.sub.6 -alkoxyalkoxy, hydrogen, C.sub.1 -C.sub.4 -alkyl or C.sub.1 -C.sub.4 -haloalkyl, R.sup.7, R.sup.8, R.sup.9, R.sup.10, R.sup.11, R.sup.12 and R.sup.13 independently of one another are each hydrogen or C.sub.1 -C.sub.4 -alkyl, E is nitrogen or the methine bridge, and Z is oxygen or sulfur; and also the salts of these compounds.

  化合物I的N-苯磺酰-N'-嘧啶基和-三嗪基脲的通式如下：##STR1## 其中A为3,3,3-三氟丙基或3,3-二氟丁基，R1为氢、卤素、硝基、氰基、C1-C4烷基、C1-C4卤代烷基、C1-C4烷氧基、C1-C4烷基硫基、C1-C4烷基磺酰基、C1-C4烷基磺酰基、--CO--R6、--NR7R8、--CO--NR9R10或--SO2--NR11R12，R2为氢、卤素、C1-C4烷基、C1-C4烷氧基、C1-C4烷基硫基、C1-C4烷基磺酰基或C1-C4烷基磺酰基，R3和R4各自独立地为氢、卤素、C1-C4烷基、C1-C4卤代烷基、C2-C4卤代烷氧基、C1-C4烷基硫基、C1-C4卤代烷基硫基、C2-C4烷氧基烷基、C1-C4烷氧基或--NR13R13，R5为氢、C1-C4烷基或C1-C4烷氧基，R6为C1-C4烷氧基、C1-C4卤代烷氧基、C1-C4烷基硫基、C2-C6烷氧基烷氧基、氢、C1-C4烷基或C1-C4卤代烷基，R7、R8、R9、R10、R11、R12和R13各自独立地为氢或C1-C4烷基，E为氮或甲基桥，Z为氧或硫；以及这些化合物的盐。
• N-phenylsulfonyl-N'-pyrimidinyl-ureas
  申请人：Ciba-Geigy Corportion

  公开号：US04759793A1

  公开（公告）日：1988-07-26

  N-Phenylsulfonyl-N'-pyrimidinyl- and -triazinylureas of the formula I ##STR1## wherein A is 3,3,3-trifluoropropyl or 3,3-difluorobutyl, R.sup.1 is hydrogen, halogen, nitro, cyano, C.sub.1 -C.sub.4 -alkyl, C.sub.1 -C.sub.4 -haloalkyl, C.sub.1 -C.sub.4 -alkoxy, C.sub.1 -C.sub.4 -alkylthio, C.sub.1 -C.sub.4 -alkylsulfinyl, C.sub.1 -C.sub.4 -alkylsulfonyl, --CO-R.sup.6, --NR.sup.7 R.sup.8, --CO--NR.sup.9 R.sup.10 or --SO.sub.2 --NR.sup.11 R.sup.12, R.sup.2 is hydrogen, halogen, 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 -alkylsulfinyl or C.sub.1 -C.sub.4 -alkylsulfonyl, R.sup.3 and R.sup.4 independently of one another are each hydrogen, halogen, C.sub.1 -C.sub.4 -alkyl, C.sub.1 -C.sub.4 -haloalkyl, C.sub.2 -C.sub.4 -haloalkoxy, C.sub.1 -C.sub.4 -alkylthio, C.sub.1 -C.sub.4 -haloalkylthio, C.sub.2 -C.sub.4 -alkoxyalkyl, C.sub.1 -C.sub.4 -alkoxy or --NR.sup.12 R.sup.13, R.sup.5 is hydrogen, C.sub.1 -C.sub.4 -alkyl or C.sub.1 -C.sub.4 -alkoxy, R.sup.6 is C.sub.1 -C.sub.4 -alkoxy, C.sub.1 -C.sub.4 -haloalkoxy, C.sub.1 -C.sub.4 -alkylthio, C.sub.2 -C.sub.6 -alkoxyalkoxy, hydrogen, C.sub.1 -C.sub.4 -alkyl or C.sub.1 -C.sub.4 -haloalkyl, R.sup.7, R.sup.8, R.sup.9, R.sup.10, R.sup.11, R.sup.12 and R.sup.13 independently of one another are each hydrogen or C.sub.1 -C.sub.4 -alkyl, E is nitrogen or the methine bridge, and Z is oxygen or sulfur; and also the salts of these compounds.

  公式I中的N-苯基磺酰-N'-嘧啶基和三嗪基脲，其中A是3,3,3-三氟丙基或3,3-二氟丁基，R1是氢，卤素，硝基，氰基，C1-C4-烷基，C1-C4-卤代烷基，C1-C4-烷氧基，C1-C4-烷基硫基，C1-C4-烷基亚磺酰基，C1-C4-烷基磺酰基，-CO-R6，-NR7R8，-CO-NR9R10或-SO2-NR11R12，R2是氢，卤素，C1-C4-烷基，C1-C4-烷氧基，C1-C4-烷基硫基，C1-C4-烷基亚磺酰基或C1-C4-烷基磺酰基，R3和R4各自独立地是氢，卤素，C1-C4-烷基，C1-C4-卤代烷基，C2-C4-卤代烷氧基，C1-C4-烷基硫基，C1-C4-卤代烷基硫基，C2-C4-烷氧基烷基，C1-C4-烷氧基或-NR12R13，R5是氢，C1-C4-烷基或C1-C4-烷氧基，R6是C1-C4-烷氧基，C1-C4-卤代烷氧基，C1-C4-烷基硫基，C2-C6-烷氧基烷氧基，氢，C1-C4-烷基或C1-C4-卤代烷基，R7，R8，R9，R10，R11，R12和R13各自独立地是氢或C1-C4-烷基，E是氮或甲基桥，Z是氧或硫;以及这些化合物的盐。
• Heard, Nina E.; Overman, Monica C., Journal of Heterocyclic Chemistry, 1995, vol. 32, # 5, p. 1621 - 1624
  作者：Heard, Nina E.、Overman, Monica C.

  DOI：——

  日期：——
• US4671819A
  申请人：——

  公开号：US4671819A

  公开（公告）日：1987-06-09