4-chloro-2,3-dihydro-1-benzothiophene-5-carboxylic acid 1,1-dioxide | 263555-92-6

• 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: 4-chloro-2,3-dihydro-1-benzothiophene-5-carboxylic acid 1,1-dioxide
• 英文别名: 4-chloro-5-oxycarbonyl-2,3-dihydrobenzothiophene 1,1-dioxide；4-chloro-5-oxycarbonyl-2,3-dihydrobenzothiophene-1,1-dioxide；4-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carboxylic acid
• CAS: 263555-92-6
• 化学式: C₉H₇ClO₄S
• 分子量: 246.671
• InChiKey: OSWJUAOGJFBGCX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  79.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-chloro-2,3-dihydro-1-benzothiophene-5-carboxylic acid 1,1-dioxide 在 4-二甲氨基吡啶 、 氯化亚砜 作用下， 以 吡啶 、 水 为溶剂， 以61%的产率得到4-chloro-N-(1-methyl-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1-benzothiophen-5-carboxamide 1,1-dioxide
  参考文献：
  名称：

  N-(1,2,5-OXADIAZOL-3-YL)-, N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)BICYCLOARYLCARBOXAMIDES AND THEIR USE AS HERBICIDES

  摘要：

  一般式为（I）的N-（1,2,5-噁二唑-3-基）-，N-（四唑-5-基）-和N-（三唑-5-基）-双环芳基羧酰胺被描述为除草剂。在公式（I）中，R3，R4和R5分别是氢，有机基团，如烷基，以及卤素等其他基团。Q是杂环。X和Y分别是氧和硫。

  公开号：

  US20140106969A1
• 作为产物：
  描述：

  4-chloro-5-ethoxycabonyl-2,3-dihydrobenzothiophene-1,1-dioxide 在 sodium hydroxide 、 乙醇 、 水 、 盐酸 作用下， 以 水 为溶剂， 以84%的产率得到4-chloro-2,3-dihydro-1-benzothiophene-5-carboxylic acid 1,1-dioxide
  参考文献：
  名称：

  Triketone derivatives and herbicides

  摘要：

  本发明涉及一种具有特定结构的新型三酮衍生物和含有该三酮衍生物作为活性成分的除草剂。该除草剂对于控制抑制作物生长的杂草有效，尤其对于水稻杂草，如三粒谷和茅莓草。

  公开号：

  US20040002425A1

文献信息

• AZOLE COMPOUNDS AND HERBICIDE COMPOSITIONS
  申请人：Idemitsu Kosan Co., Ltd.

  公开号：EP1182203A1

  公开（公告）日：2002-02-27

  Azole compounds are represented by the following formula (Ia) or (Ib): wherein, Q, X, p, R1 to R6, R12 to R15 and Z1 to Z4 are as defined in the disclosure, and herbicidal compositions contain the azole compounds of formula (Ia) or (Ib) in herbicidally effective amounts. The compounds of the formulae (Ia) and (Ib) are less injurious to cultivated crops and have a broad spectrum of weed control with low application rates.

  Azole化合物由以下公式（Ia）或（Ib）代表：其中，Q、X、p、R1至R6、R12至R15和Z1至Z4如披露中所定义，除草剂组合物中含有公式（Ia）或（Ib）的azole化合物的有效量。公式（Ia）和（Ib）的化合物对栽培作物伤害较小，在低施用率下具有广谱的除草控制。
• Benzothiophene derivatives and herbicidal compositions containing the same
  申请人：——

  公开号：US20040058957A1

  公开（公告）日：2004-03-25

  The benzothiophene derivative of the present invention is represented by the general formula (I): 1 wherein R 1 to R 7 , X, Y, Q, n and p are as defined in the specification. A herbicidal composition containing the benzothiophene derivatives as the effective component is less injury to cultivated crops such as paddy rice and has a broad spectrum of controlling the growth of weeds in a low application rate.

  本发明的苯并噻吩衍生物由通式（I）表示：其中R1至R7、X、Y、Q、n和p如规范中所定义。含有苯并噻吩衍生物作为有效成分的除草剂组合物对于栽培作物如稻谷的伤害较小，并且在低施用率下对于杂草的生长控制具有广谱作用。
• [EN] SUBSTITUTED 1,2,5-OXADIAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES II<br/>[FR] COMPOSÉS 1,2,5-OXADIAZOLE SUBSTITUÉS ET LEUR UTILISATION COMME HERBICIDES AGISSANT AU NIVEAU DU PHOTOSYSTÈME II
  申请人：BASF SE

  公开号：WO2013072402A1

  公开（公告）日：2013-05-23

  The present invention relates to substituted 1,2,5-oxadiazole compounds of the formula (I) and the N-oxides and salts thereof and to compositions comprising the same. The invention also relates to the use of the 1,2,5-oxadiazole compounds or of the compositions comprising such compounds for controlling unwanted vegetation. Furthermore, the invention relates to methods of applying such compounds. In formula I, the variables have the following meanings: R is e.g. hydrogen, cyano, nitro, halogen, C1-C6-alkyl, C3-C7-cycloalkyl, C3-C7-cycloalkyl-C1-C4-alkyl, C1-C6-haloalkyl, C2-C6-alkenyl, C2-C6-haloalkenyl, C2-C6-alkynyl, C2-C6-haloalkynyl, C1-C4-alkoxy-C1-C4-alkyl, C1-C4-haloalkoxy-C1-C4-alkyl, O-Ra, Z-S(O)n-Rb, Z-C(=O)-Rc, Z-C(=O)-ORd, Z-C(=O)-NReRf, Z-NRgRh, Z-phenyl or Z-heterocyclyl;CYC is a bi- or tricyclic radical of the following formulae Cyc-1 or Cyc-2 where # is the point of attachment of the bicyclic radical to the carbonyl group, Q, Q' independently of each other are e.g. a fused 5-, 6-, 7-, 8-, 9- or 10-membered carbocycle or a fused 5-, 6-, 7-, 8-, 9- or 10-membered heterocycle; R1 is e.g. Z1-cyano, halogen, nitro, C1-C8-alkyl, C2-C8-alkenyl, C2-C8-alkynyl, C1-C8-haloalkyl, C1-C8-alkoxy, C1-C4-alkoxy-C1-C4-alkyl, Z1-C1-C4-alkoxy-C1-C4-alkoxy, C1- C4-alkylthio-C1-C4-alkyl, Z1-C1-C4-alkylthio-C1-C4-alkylthio, C2-C6-alkenyloxy, C2-C6- alkynyloxy, C1-C6-haloalkoxy, C1-C4-haloalkoxy-C1-C4-alkyl, Z1-C1-C4-haloalkoxy-C1-C4- alkoxy, Z1-S(O)k-R1b, Z1-phenoxy or Z1-heterocyclyloxy; R3 is e.g. hydrogen, halogen, Z3-OH, Z3-NO2, Z3-cyano, C1-C6-alkyl, C2-C8- alkenyl, C2-C8-alkynyl, Z2-C3-C10-cycloalkyl, Z3-C3-C10-cycloalkoxy, C1-C8-haloalkyl, Z3-C1-C8-alkoxy, Z3-C1-C8-haloalkoxy, Z3-C1-C4-alkoxy-C1-C4-alkoxy, Z3-C1-C4-alkylthio-C1-C4-alkylthio, Z3-C2-C8-alkenyloxy, Z3-C2-C8-alkynyloxy, Z3-C1-C8-haloalkoxy, Z3-C2-C8- haloalkenyloxy, Z3-C2-C8-haloalkynyloxy, Z3-C1-C4-haloalkoxy-C1-C4-alkoxy, Z3-(tri-C1- C4-alkyl)silyl, Z3-S(O)k-R3b, Z3-C(=O)-R3c, Z3-C(=O)-OR3d, Z3-C(=O)-NR3eR3f, Z3- NR3gR3h, Z3a-phenyl or Z3a-heterocyclyl; R4 is hydrogen, halogen, cyano, nitro, C1-C4-alkyl or C1-C4-haloalkyl; R5 is hydrogen, halogen, C1-C4-alkyl or C1-C4-haloalkyl; provided that at least one of the radicals R4 and R5 is different from hydrogen; n is 0, 1 or 2; k is 0, 1 or 2; and the variables Z, Z1, Z2, Z3, Z3a, Ra, Rb, R1b, R2b, R3b, Rc, R2c, R3c, Rd, R3d, Re, Rf, R3e, R3f, Rg, Rh, R2g, R2h, R3g and R3h have the meanings given in the claims.

  本发明涉及式(I)的取代1,2,5-噁二唑化合物及其N-氧化物和盐，以及包含它们的组合物。该发明还涉及使用1,2,5-噁二唑化合物或包含这种化合物的组合物来控制不需要的植被。此外，该发明还涉及应用这种化合物的方法。在公式I中，变量的含义如下：R是氢、氰基、硝基、卤素、C1-C6烷基、C3-C7环烷基、C3-C7-环烷基-C1-C4-烷基、C1-C6卤代烷基、C2-C6烯基、C2-C6卤代烯基、C2-C6炔基、C2-C6卤代炔基、C1-C4-烷氧基-C1-C4-烷基、C1-C4-卤代烷氧基-C1-C4-烷基、O-Ra，Z-S(O)n-Rb、Z-C(=O)-Rc、Z-C(=O)-ORd、Z-C(=O)-NReRf、Z-NRgRh、Z-苯基或Z-杂环基；CYC是以下式Cyc-1或Cyc-2的双环或三环基团，其中#是双环基团连接到羰基基团的点，Q、Q'彼此独立，例如是融合的5、6、7、8、9或10元环碳环或融合的5、6、7、8、9或10元杂环；R1例如是Z1-氰基、卤素、硝基、C1-C8烷基、C2-C8烯基、C2-C8炔基、C1-C8卤代烷基、C1-C8-烷氧基、C1-C4-烷氧基-C1-C4-烷基、Z1-C1-C4-烷氧基-C1-C4-烷氧基、C1-C4-烷硫基-C1-C4-烷基、Z1-C1-C4-烷硫基-C1-C4-烷硫基、C2-C6-烯氧基、C2-C6-炔氧基、C1-C6卤代烷氧基、C1-C4-卤代烷氧基-C1-C4-烷基、Z1-C1-C4-卤代烷氧基-C1-C4-烷氧基、Z1-S(O)k-R1b、Z1-苯氧基或Z1-杂环氧基；R3例如是氢、卤素、Z3-OH、Z3-NO2、Z3-氰基、C1-C6烷基、C2-C8烯基、C2-C8炔基、Z2-C3-C10-环烷基、Z3-C3-C10-环烷氧基、C1-C8卤代烷基、Z3-C1-C8-烷氧基、Z3-C1-C8-卤代烷氧基、Z3-C1-C4-烷氧基-C1-C4-烷氧基、Z3-C1-C4-烷硫基-C1-C4-烷硫基、Z3-C2-C8-烯氧基、Z3-C2-C8-炔氧基、Z3-C1-C8卤代烷氧基、Z3-C2-C8-卤代烯氧基、Z3-C2-C8-卤代炔氧基、Z3-C1-C4-卤代烷氧基-C1-C4-烷氧基、Z3-(三个C1-C4-烷基)硅烷基、Z3-S(O)k-R3b、Z3-C(=O)-R3c、Z3-C(=O)-OR3d、Z3-C(=O)-NR3eR3f、Z3- NR3gR3h、Z3a-苯基或Z3a-杂环基；R4是氢、卤素、氰基、硝基、C1-C4烷基或C1-C4卤代烷基；R5是氢、卤素、C1-C4烷基或C1-C4卤代烷基；但至少有一个基团R4和R5不同于氢；n为0、1或2；k为0、1或2；变量Z、Z1、Z2、Z3、Z3a、Ra、Rb、R1b、R2b、R3b、Rc、R2c、R3c、Rd、R3d、Re、Rf、R3e、R3f、Rg、Rh、R2g、R2h、R3g和R3h的含义如权利要求所述。
• SUBSTITUTED 1,2,5-OXADIAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES II
  申请人：BASF SE

  公开号：US20140309116A1

  公开（公告）日：2014-10-16

  The present invention relates to substituted 1,2,5-oxadiazole compounds of the formula (I) and the N-oxides and salts thereof and to compositions comprising the same. The invention also relates to the use of the 1,2,5-oxadiazole compounds or of the compositions comprising such compounds for controlling unwanted vegetation. Furthermore, the invention relates to methods of applying such compounds.

  本发明涉及公式(I)的取代1,2,5-噁二唑化合物及其N-氧化物和盐，以及包含它们的组合物。本发明还涉及使用1,2,5-噁二唑化合物或包含这些化合物的组合物来控制不良植被。此外，本发明还涉及应用这些化合物的方法。
• N-(1,2,5-Oxadiazol-3-yl)-, N-(tetrazol-5-yl)- and N-(triazol-5-yl)bicycloarylcarboxamides and their use as herbicides
  申请人：Almsick Andreas

  公开号：US09035067B2

  公开（公告）日：2015-05-19

  N-(1,2,5-Oxadiazol-3-yl)-, N-(tetrazol-5-yl)- and N-(triazol-5-yl)bicycloarylcarboxamides of the general formula (I) are described as herbicides. In this formula (I), R3, R4 and R5 are each radicals such as hydrogen, organic radicals such as alkyl, and other radicals such as halogen. Q is a heterocycle. X and Y are each oxygen and sulfur.

  描述了一种通式(I)的杂环芳基羧酰胺类除草剂，其中包括N-(1,2,5-噁二唑-3-基)-、N-(四唑-5-基)-和N-(三唑-5-基)的化合物。在通式(I)中，R3、R4和R5分别是氢、烷基等有机基团或卤素等其他基团。Q是杂环。X和Y分别是氧和硫。