5-ethoxy-4-methyl-2-phenoxycarbonyl-2,4-dihydro-3H-1,2,4-triazol-3-one

• 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: 5-ethoxy-4-methyl-2-phenoxycarbonyl-2,4-dihydro-3H-1,2,4-triazol-3-one
• 英文别名: Phenyl 3-ethoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxylate
• 化学式: C₁₂H₁₃N₃O₄
• 分子量: 263.253
• InChiKey: DTRXTYJIXKPQAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  71.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,4-dimethyl-thiophene-3-sulphonamide 、 5-ethoxy-4-methyl-2-phenoxycarbonyl-2,4-dihydro-3H-1,2,4-triazol-3-one 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙腈 为溶剂， 反应 15.0h， 以50%的产率得到5-ethoxy-4-methyl-2-(2,4-dimethyl-thien-3-yl-sulphonylaminocarbonyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
  参考文献：
  名称：

  Thienysulfonylamino (thio) carbonyl compounds

  摘要：

  本发明涉及一种新型噻吩磺酰氨基（硫）羰基化合物，其化学式为（I），其中Q代表氧或硫，R1代表氰基，卤素或在每种情况下可选择氰基，卤素或C1-C4-烷氧基取代的烷基，烯基，炔基，烷氧基，烯氧基或炔氧基，每种基团中均含有最多6个碳原子，R2代表氰基，卤素或在每种情况下可选择氰基，卤素或C1-C4-烷氧基取代的烷基，烯基，炔基，烷氧基，烯氧基或炔氧基，每种基团中均含有最多6个碳原子，R3代表在每种情况下可选择取代的含5个环成员的杂环基，其中至少一个成员代表氧，硫或氮，另外一个到三个成员可以代表氮，以及化合物（I）的盐，用于制备新化合物的过程和新中间体以及其作为除草剂的用途。

  公开号：

  US06383988B1

文献信息

• Herbicidal sulphonylamino(thio)carbonyl compounds
  申请人：Bayer Aktiengesellschaft

  公开号：US06251831B1

  公开（公告）日：2001-06-26

  The invention relates to novel sulphonylamino(thio)carbonyl compounds of the formula (I), in which A represents a single bond, oxygen, sulphur or the group N—R, in which R represents hydrogen, alkyl, alkenyl, alkinyl or cycloalkyl, Q represents oxygen or sulphur, R1 represents hydrogen or formyl or represents in each case optionally substituted alkyl, alkenyl, alkinyl, alkylcarbonyl, alkoxycarbonyl, alkylsulphonyl, cycloalkyl, cycloalkylcarbonyl or cycloalkylsulphonyl, R2 represents cyano or halogen or represents in each case optionally substituted alkyl, alkenyl, alkinyl, alkoxy, alkenyloxy or alkinyloxy, and R3 represents in each case optionally substituted heterocyclyl having 5 ring members of which at least one is oxygen, sulphur or nitrogen and from one to three further ring members can be nitrogen, and salts of compounds of the formula (I), the previously known compounds 4,5-dimethoxy-2-(2,5-dimethoxy-phenylsulphonylaminocarbonyl)-2,4-dihydro-3H-1,2,4-triazol-3-one, 4,5-diethoxy-2-(2,5-dimethoxy-phenylsulphonylaminocarbonyl)-2,4-dihydro-3H-1,2,4-triazol-3-one and N-(2,5-dimethoxy-phenylsulphonyl)-1,5-dimethyl-1H-pyrazole-3-carboxamide being excluded by disclaimer; and also to processes and novel intermediates for the preparation of the novel substances and to their use as herbicides.

  这项发明涉及公式(I)的新型磺胺基(硫)羰基化合物，其中A代表单键，氧，硫或基团N—R，其中R代表氢，烷基，烯基，炔基或环烷基，Q代表氧或硫，R1代表氢或甲酰基，或分别代表可选择取代的烷基，烯基，炔基，烷基羰基，烷氧羰基，烷基磺酰基，环烷基，环烷基羰基或环烷基磺酰基，R2代表氰基或卤素，或分别代表可选择取代的烷基，烯基，炔基，烷氧基，烯氧基或炔氧基，R3代表在每种情况下可选择取代的含有5个环成员的杂环基，其中至少一个是氧，硫或氮，而另外一个到三个环成员可以是氮，并且代表公式(I)化合物的盐，之前已知的化合物4,5-二甲氧基-2-(2,5-二甲氧基苯磺酰氨基羰基)-2,4-二氢-3H-1,2,4-三唑-3-酮，4,5-二乙氧基-2-(2,5-二甲氧基苯磺酰氨基羰基)-2,4-二氢-3H-1,2,4-三唑-3-酮和N-(2,5-二甲氧基苯磺酰)-1,5-二甲基-1H-吡唑-3-羧酰胺被免责声明排除；以及用于制备新型物质的过程和新型中间体，以及它们作为除草剂的用途。
• Substituted sulphonyl amino(thio)carbonyl compounds and their use as herbicides
  申请人：Bayer Aktiengesellschaft

  公开号：US06677277B1

  公开（公告）日：2004-01-13

  The invention relates to novel sulfonylamino(thio)carbonyl compounds of the formula (I), in which n represents the numbers 0, 1 or 2, A represents a single bond, or oxygen or sulfur, or the grouping N—R, in which R represents hydrogen, alkyl, alkenyl, alkinyl or cycloalkyl, Q represents oxygen or sulfur, R1 represents hydrogen or formyl, or represents respectively optionally substituted alkyl, alkoxy, alkylamino, alkoxyamino, dialkylamino, N-alkoxy-N-alkyl-amino, alkylcarbonyl, alkoxycarbonyl, alkylsulfonyl, alkenyl, alkinyl, cycloalkyl, cycloalkylcarbonyl or cycloalkylsulfonyl, R2 represents cyano or halogen, or represents respectively optionally substituted alkyl, alkoxy, alkylthio, alkylsulfinyl, alkylsulfonyl, dialkylaminosulfonyl, alkenyl, alkinyl, alkenyloxy or alkinyloxy, and R3 represents respectively optionally substituted heterocyclyl having 5 ring members of which at least one is oxygen, sulfur or nitrogen and from one to three further ring members can be nitrogen, and salts of compounds of the formula (I), a plurality of processes and novel intermediates for preparing them and their use as herbicides.

  该发明涉及一种新型的磺酰胺基(硫)羰基化合物，其化学式为(I)，其中n代表数字0、1或2，A代表单键，或氧或硫，或基团N—R，其中R代表氢、烷基、烯基、炔基或环烷基，Q代表氧或硫，R1代表氢或甲酰基，或分别代表可选择取代的烷基、烷氧基、烷基氨基、烷氧基氨基、二烷基氨基、N-烷氧基-N-烷基-氨基、烷基羰基、烷氧羰基、烷基磺酰基、烯基、炔基、环烷基、环烷基羰基或环烷基磺酰基，R2代表氰基或卤素，或分别代表可选择取代的烷基、烷氧基、烷硫基、烷磺酰基、二烷基氨基磺酰基、烯基、炔基、烯基氧基或炔基氧基，R3代表分别可选择取代的含有5个环成员的杂环烷基，其中至少有一个是氧、硫或氮，另外一到三个环成员可以是氮，并且化合物的盐具有化学式(I)，多种制备它们的方法和新的中间体以及它们作为除草剂的用途。
• 5,6-dihydro-(1,4,2)-Dioxazin-substituted (hetero) aryl-(oxy-, imino-, alkyl-)-sulphonylamino(thio)carbonyl-heterocyclyl derivatives, their preparation and their use as herbicides
  申请人：Bayer Aktiengesellschaft

  公开号：US06200931B1

  公开（公告）日：2001-03-13

  The invention relates to novel substituted sulphonylamino(thio)carbonyl compounds of the formula (I) in which A represents a single bond, represents oxygen, imino (NH), alkanediyl (alkylene) or alkylimino (N-alkyl), J represents a (hetero)aryl grouping selected from the series phenyl, pyridyl, pyrazolyl, thienyl which is substituted by a 5,6-dihydro-[1,4,2]-dioxazin-3-yl group (which may for its part be substituted by halogen, alkyl or halogenoalkyl) and optionally by one or two further radicals selected from the series cyano, halogeno, alkyl, halogenoalkyl, phenyl, pyridyl, Q represents oxygen or sulphur and, R represents optionally substituted heterocyclyl having 5 ring members of which at least one is oxygen, sulphur or nitrogen and one to three more may be nitrogen, and salts of compounds of the formula (I), processes and specific novel intermediates for their preparation and their use as herbicides.

  该发明涉及一种新型的取代磺酰胺(硫)羰基化合物，其化学式为(I)，其中A代表单键，代表氧、亚胺(NH)、烷二基(烷基)或烷基亚胺(N-烷基)，J代表从苯基、吡啶基、吡唑基、噻吩基等系列中选择的(杂)芳基团，该团经过取代而含有5,6-二氢-[1,4,2]-二噁嗪-3-基团(该基团本身可能被卤素、烷基或卤代烷基取代)，并且可选地还含有来自氰基、卤代基、烷基、卤代烷基、苯基、吡啶基的一个或两个进一步基团，Q代表氧或硫，R代表可选地取代的具有5个环成员的杂环烷基，其中至少一个是氧、硫或氮，另外一到三个可能是氮，并且化合物(I)的盐，以及其制备的过程和特定新型中间体及其作为除草剂的用途。
• Substituted arylsulphonylamino(thio)carbonyl-triazolin(thi)ones as herbicides
  申请人：Bayer Aktiengesellschaft

  公开号：US06200934B1

  公开（公告）日：2001-03-13

  The invention relates to novel substituted arylsulphonylamino(thio)carbonyl-triazolin(thi)ones of the formula (I) useful as herbicides.

  该发明涉及一种新型的取代芳基磺酰胺（硫）羰基三唑烷（硫）酮化合物，化学式为（I），可用作除草剂。
• Substituted thien-3-yl-sulphonylamino(thio)carbonyl-triazolin(ethi)ones
  申请人：Gesing Rudolf F. Ernst

  公开号：US20050130843A1

  公开（公告）日：2005-06-16

  The invention relates to novel substituted thien-3-yl-sulphonylamino(thio)carbonyl-triazolin(ethi)ones of the general formula (I) in which Q 1 , Q 2 , R 1 , R 2 , R 3 and R 4 are each as defined in the description, and to salts of the compounds according to formula (I), to processes and to novel intermediates for their preparation and to their use as herbicides.

  该发明涉及一种新型的取代的噻吩-3-基磺酰胺（硫）羰基三唑林（乙）酮，其通式为（I），其中Q1，Q2，R1，R2，R3和R4均如描述中所定义，并且涉及到公式（I）化合物的盐、制备它们的方法和新的中间体以及它们作为除草剂的用途。