2-chlorosulfonyl-3-methoxybenzoic acid methyl ester | 215648-56-9

• 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: 2-chlorosulfonyl-3-methoxybenzoic acid methyl ester
• 英文别名: 6-methoxy-2-methoxycarbonyl-benzenesulphonyl chloride；Methyl 2-Chlorosulfonyl-3-methoxy-benzoate；Methyl 2-chlorosulfonyl-3-methoxybenzoate
• CAS: 215648-56-9
• 化学式: C₉H₉ClO₅S
• mdl: MFCD09746478
• 分子量: 264.686
• InChiKey: HMJLICZVJHBGIN-UHFFFAOYSA-N

物化性质

• 沸点：
  394.0±32.0 °C(Predicted)
• 密度：
  1.407±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  78
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-chlorosulfonyl-3-methoxybenzoic acid methyl ester 在 4-二甲氨基吡啶 、 sodium methylate 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.5h， 生成 4-hydroxy-8-methoxy-1,1-dioxo-1,2-dihydro-1λ6-benzo<1,2>thiazine-3-carboxylic acid methyl ester
  参考文献：
  名称：

  Endothelin receptor antagonists: synthesis and structure–activity relationships of substituted benzothiazine-1,1-dioxides

  摘要：

  The development of benzothiazine-1,1-dioxide derivatives as a new structural class of potent endothelin receptor antagonists is described. Structure-activity relationships (SAR) revealed that PD164800 (1) is a potent antagonist of the ETA receptor subtype. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(98)00080-7
• 作为产物：
  描述：

  3-甲氧基水杨酸 在 三乙烯二胺 、 盐酸 、 磺酰氯 、 sodium hydride 、 potassium nitrate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 42.5h， 生成 2-chlorosulfonyl-3-methoxybenzoic acid methyl ester
  参考文献：
  名称：

  Endothelin receptor antagonists: synthesis and structure–activity relationships of substituted benzothiazine-1,1-dioxides

  摘要：

  The development of benzothiazine-1,1-dioxide derivatives as a new structural class of potent endothelin receptor antagonists is described. Structure-activity relationships (SAR) revealed that PD164800 (1) is a potent antagonist of the ETA receptor subtype. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(98)00080-7

文献信息

• N-([1,2,4]triazoloazinyl)benzenesulfonamide and pyridinesulfonamide
  申请人：——

  公开号：US06005108A1

  公开（公告）日：1999-12-21

  N-(Triazoloazinyl)arylsulfonamide compounds, such as 2,6-dimethoxy-N-(8-chloro-5-methoxy[1,2,4]-triazolo[1,5-c]pyrimidin-2-yl)b enzenesulfonamide, 2-methoxy-4-(trifluoromethyl)-N-(5,8-dimethoxy[1,2,4]-triazolo[1,5-c]pyrim idin-2-yl)pyridine-3-sulfonamide, and 2-methoxy-6-methoxycarbonyl-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-a]pyridin- 2-yl)benzenesulfonamide were prepared from appropriately substituted 2-amino[1,2,4]triazolo-[1,5-c]pyrimidine and 2-amino[1,2,4]triazolo[1,5-a]-pyridine compounds and appropriately substituted benzenesulfonyl chloride and pyridine-3-sulfonyl chloride compounds. The compounds were found to be useful as herbicides.

  N-(三唑并嗪基)芳基磺酰胺化合物，例如2,6-二甲氧基-N-(8-氯-5-甲氧基[1,2,4]-三唑并[1,5-c]嘧啶-2-基)苯磺酰胺，2-甲氧基-4-(三氟甲基)-N-(5,8-二甲氧基[1,2,4]-三唑并[1,5-c]嘧啶-2-基)吡啶-3-磺酰胺和2-甲氧基-6-甲氧羰基-N-(5,8-二甲氧基[1,2,4]三唑并[1,5-a]嘧啶-2-基)苯磺酰胺，是由适当取代的2-氨基[1,2,4]-三唑并[1,5-c]嘧啶和2-氨基[1,2,4]-三唑并[1,5-a]-吡啶化合物以及适当取代的苯磺酰氯和吡啶-3-磺酰氯化合物制备而成。这些化合物被发现可用作除草剂。
• N-(\x9b1, 2, 4! triazoloazinyl) benzenesulfonamide and pyridinesulfonamide
  申请人：Dow AgroSciences LLC

  公开号：US05858924A1

  公开（公告）日：1999-01-12

  N-(Triazoloazinyl)arylsulfonamide compounds, such as 2,6-dimethoxy-N-(8-chloro-5-methoxy\x9b1,2,4!-triazolo\x9b1,5-c!pyrimidin-2-yl)b enzenesulfonamide, 2-methoxy-4-(trifluoromethyl)-N-(5,8-dimethoxy\x9b1,2,4!-triazolo\x9b1,5-c!pyrim idin-2-yl)pyridine-3-sulfonamide, and 2-methoxy-6-methoxycarbonyl-N-(5,8-dimethoxy\x9b1,2,4!triazolo\x9b1,5-a!pyridin- 2-yl)benzenesulfonamide were prepared from appropriately substituted 2-amino\x9b1,2,4!triazolo-\x9b1,5-c!pyrimidine and 2-amino\x9b1,2,4!triazolo\x9b1,5-a!-pyridine compounds and appropriately substituted benzene-sulfonyl chloride and pyridine-3-sulfonyl chloride compounds. The compounds were found to be useful as herbicides.

  N-(Triazoloazinyl)芳基磺酰胺化合物，例如2,6-二甲氧基-N-(8-氯-5-甲氧基\x9b1,2,4!-三唑\x9b1,5-c!嘧啶-2-基)苯磺酰胺，2-甲氧基-4-(三氟甲基)-N-(5,8-二甲氧基\x9b1,2,4!-三唑\x9b1,5-c!嘧啶-2-基)吡啶-3-磺酰胺，以及2-甲氧基-6-甲氧羰基-N-(5,8-二甲氧基\x9b1,2,4!-三唑\x9b1,5-a!嘧啶-2-基)苯磺酰胺，是由适当取代的2-氨基\x9b1,2,4!-三唑\x9b1,5-c!嘧啶和2-氨基\x9b1,2,4!-三唑\x9b1,5-a!-吡啶化合物以及适当取代的苯磺酰氯和吡啶-3-磺酰氯化合物制备而成。这些化合物被发现可用作除草剂。
• N-([1,2,4]triazoloazinyl) benzenesulfonamide and pyridinesulfonamide
  申请人：Dow AgroSciences LLC

  公开号：US06130335A1

  公开（公告）日：2000-10-10

  N-(Triazoloazinyl)arylsulfonamide compounds, such as 2,6-dimethoxy-N-(8-chloro-5-methoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)be nzenesulfonamide, 2-methoxy-4-(trifluoromethyl)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimi din-2-yl)pyridine-3-sulfonamide, and 2-methoxy-6-methoxycarbonyl-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-a]pyridin- 2-yl)benzenesulfonamide were prepared from appropriately substituted 2-amino[1,2,4]triazolo[1,5-c]pyrimidine and 2-amino[1,2,4]triazolo[1,5-a]pyridine compounds and appropriately substituted benzenesulfonyl chloride and pyridine-3-sulfonyl chloride compounds. The compounds were found to be useful as herbicides.

  N-(Triazoloazinyl)芳基磺酰胺化合物，例如2,6-二甲氧基-N-(8-氯-5-甲氧基[1,2,4]三唑[1,5-c]嘧啶-2-基)苯磺酰胺，2-甲氧基-4-(三氟甲基)-N-(5,8-二甲氧基[1,2,4]三唑[1,5-c]嘧啶-2-基)吡啶-3-磺酰胺和2-甲氧基-6-甲氧基羰基-N-(5,8-二甲氧基[1,2,4]三唑[1,5-a]吡啶-2-基)苯磺酰胺，是由适当取代的2-氨基[1,2,4]三唑[1,5-c]嘧啶和2-氨基[1,2,4]三唑[1,5-a]吡啶化合物以及适当取代的苯磺酰氯和吡啶-3-磺酰氯化合物制备而成。这些化合物被发现可用作除草剂。
• Substituted sulphonylamino(thio)carbonyl compounds
  申请人：——

  公开号：US20030162979A1

  公开（公告）日：2003-08-28

  The invention relates to novel substituted sulphonylamino(thio)carbonyl compounds of the formula (I) 1 in which A represents oxygen, sulphur, NH, N-alkyl, N-aryl, —CH═N—, or —N═CH— or —CH═CH—, Q represents oxygen or sulphur, R 1 represents respectively optionally substituted alkyl, alkenyl, alkinyl, cycloalkyl, cycloalkylalkyl, aryl, arylalkyl, heterocyclyl or heterocyclylalkyl, R 2 represents cyano, nitro, halogen or represents respectively optionally substituted alkyl, alkoxy, alkoxycarbonyl, alkylthio, alkylsulphinyl, alkylsulphonyl, alkenyl, alkinyl, alkenyloxy or alkinyloxy, and R 3 represents respectively optionally substituted heterocyclyl having 5 ring members of which at least one represents oxygen, sulphur or nitrogen and a further one to three may represent nitrogen (except for certain individual prior art compounds), furthermore to salts of novel compounds of the formula (I), to various processes and novel intermediates for preparing the novel compounds and to their use as herbicides.

  本发明涉及式 (I) 的新型取代磺酰胺（硫代）羰基化合物 1 其中 A 代表氧、硫、NH、N-烷基、N-芳基、-CH═N- 或 -N═CH- 或 -CH═CH-、 Q 代表氧或硫、 R 1 分别代表任选取代的烷基、烯基、炔基、环烷基、环烷基烷基、芳基、芳烷基、杂环烷基或杂环烷基、 R 2 代表氰基、硝基、卤素或分别代表任选取代的烷基、烷氧基、烷氧羰基、烷硫基、烷基亚磺酰基、烷基磺酰基、烯基、炔基、烯氧基或炔氧基，以及 R 3 分别代表具有 5 个环状构件的任选取代的杂环基，其中至少一个环状构件代表氧、 硫或氮，另外一至三个环状构件可代表氮。 (除某些现有技术化合物外），以及式 (I) 新型化合物的盐、制备新型化合物的各种工艺和新型中间体及其作为除草剂的用途。
• N-( 1,2,4] TRIAZOLOAZINYL)BENZENESULFONAMIDE AND PYRIDINESULFONAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES
  申请人：Dow Agrosciences LLC

  公开号：EP0877745B1

  公开（公告）日：2001-07-25