6-methyl-2-ethoxycarbonyl-benzenesulphonyl chloride | 190375-03-2

• 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: 6-methyl-2-ethoxycarbonyl-benzenesulphonyl chloride
• 英文别名: Ethyl 2-chlorosulfonyl-3-methylbenzoate
• CAS: 190375-03-2
• 化学式: C₁₀H₁₁ClO₄S
• 分子量: 262.714
• InChiKey: UFGSJVVVJIVELK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  68.8
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Phosphosulfonate herbicides
  申请人：ROHM AND HAAS COMPANY

  公开号：EP0511826A2

  公开（公告）日：1992-11-04

  This invention concerns phosphosulfonates having the general formula wherein (1) Y is phenyl ; naphthyl ; benzyl ; (C5-C8)cycloalkyl ; a 5-membered heteroaromatic ring having from one to four heteroatoms each being independently N, O or S, provided that no more than one is O or S ; a 6-membered heteroaromatic ring having 1, 2 or 3 nitrogen atoms ; or a fused 5,6- or 6,6-membered heteroaromatic ring having from one to four heteroatoms each being independently N, O or S, provided that no more than one is O or S ; wherein Y optionally has up to three substituents, each being independently halogen, cyano, nitro, (C1-C6)alkoxy, halo(C1-C4)alkoxy, (C1-C6)alkyl, halo(C1-C4)alkyl, phenyl, (C1-C4)alkylcarbonyloxy, di(C1-C4)alkylcarbamoyl or (C1-C4)alkoxycarbonyl, provided that (a) no more than one of said substituents is present when Y is a thiadiazolyl ring or a tetrazolyl ring, and (b) no more than two of said substituents is present when Y is a triazolyl ring, a thiazolyl ring, or an isothiazolyl ring, except that when Y is phenyl, naphthyl or benzyl, it may have up to five substituents each being independently halogen, acetoxy, methyl, methoxy or halomethoxy, but no more than two of which are acetoxy, methyl, methoxy, or halomethoxy; (2) X is oxygen or sulfur ; and (3) R1 and R2 are each independently chloro, or (C1-C6)alkyl, (C1-C6)alkoxy, halo(C2-C4)alkoxy, (C1-C4)alkylthio, (C3-C4)alkenyloxy, (C3-C4)alkynyloxy, (C1-C4)alkoxy(C1-C4)alkoxy, (C4-C8)cycloalkyloxy, (C3-C6)cycloalkyl(C1-C3)alkoxy, cyano(C1-C4)alkoxy, (C2-C4)alkylideneiminooxy or amino each optionally substituted with one or two of (C1-C4)alkyl, (C2-C4)alkenyl or phenyl ; provided that there is not more than one phenyl group on the amino group ; also provided that R1 may additionally be phenyl or phenoxy; and also provided that R1 and R2 may both be alkoxy so as to form together with the phosphorus atom a 6-membered oxygen-containing ring ; except that when R1 and R2 are both alkoxy, Y is not phenyl, 4-methylphenyl, 4-chlorophenyl, 4-bromophenyl or 3-nitrophenyl ; compositions containing these compounds and their use as herbicides.

  本发明涉及通式如下的磷磺酸盐 其中 (1) Y 是苯基；萘基；苄基；(C5-C8)环烷基；具有 1 至 4 个杂原子的 5 元杂芳环，每个杂原子独立地为 N、O 或 S，但 O 或 S 不超过一个；具有 1、2 或 3 个氮原子的 6 元杂芳环；或融合的 5、6 或 6、6 元杂芳环，其 1 至 4 个杂原子各自独立地为 N、O 或 S，但 O 或 S 原子不得多于 1 个； 其中 Y 可任选具有最多三个取代基，每个取代基独立为卤素、氰基、硝基、(C1-C6)烷氧基、卤代(C1-C4)烷氧基、(C1-C6)烷基、卤代(C1-C4)烷基、苯基、(C1-C4)烷基羰氧基、二(C1-C4)烷基氨基甲酰基或(C1-C4)烷氧基羰基，条件是 (a) 当 Y 为噻二唑环或四唑环时，上述取代基中存在的不超过一个，且 (b) 当 Y 为三唑环、噻唑环或异噻唑环时，所述取代基不超过两个，但当 Y 为苯基、萘基或苄基时，最多可有五个取代基，每个取代基独立地为卤素、乙酰氧基、甲基、甲氧基或卤代甲氧基，但其中乙酰氧基、甲基、甲氧基或卤代甲氧基不超过两个； (2) X 是氧或硫；以及 (3) R1 和 R2 各自独立地是氯、或 (C1-C6)烷基、(C1-C6)烷氧基、卤代(C2-C4)烷氧基、(C1-C4)烷硫基、(C3-C4)烯氧基、(C3-C4)炔氧基、(C1-C4)烷氧基（C1-C4）烷氧基、(C4-C8)环烷氧基、(C3-C6)环烷基(C1-C3)烷氧基、氰基(C1-C4)烷氧基、(C2-C4)亚烷基亚氨基氧基或氨基，各自任选被一个或两个(C1-C4)烷基、(C2-C4)烯基或苯基取代；前提是氨基上的苯基不超过一个；此外，R1 还可以是苯基或苯氧基；R1 和 R2 还可以都是烷氧基，以便与磷原子一起形成一个 6 元含氧环；但当 R1 和 R2 都是烷氧基时，Y 不是苯基、4-甲基苯基、4-氯苯基、4-溴苯基或 3-硝基苯基；含有这些化合物的组合物及其作为除草剂的用途。
• 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。
• US5272128A
  申请人：——

  公开号：US5272128A

  公开（公告）日：1993-12-21
• US5500405A
  申请人：——

  公开号：US5500405A

  公开（公告）日：1996-03-19
• US6180567B1
  申请人：——

  公开号：US6180567B1

  公开（公告）日：2001-01-30