4-fluorobenzo[d]isothiazol-3(2H)-one 1,1-dioxide | 120257-03-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 4-fluorobenzo[d]isothiazol-3(2H)-one 1,1-dioxide
• 英文别名: 4-fluoro-1,2-benzisothiazol-3(2H)-one 1,1-dioxide；4-fluoro-1,1-dioxo-1,2-benzothiazol-3-one
• CAS: 120257-03-6
• 化学式: C₇H₄FNO₃S
• mdl: MFCD28246284
• 分子量: 201.178
• InChiKey: CPWDUBMIXGCDKY-UHFFFAOYSA-N

物化性质

• 熔点：
  210-212 °C
• 密度：
  1.651±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  71.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-fluorobenzo[d]isothiazol-3(2H)-one 1,1-dioxide 生成 2-Fluoro-6-sulfamoyl-benzoic acid methyl ester
  参考文献：
  名称：

  HAMPRECHT, G.;HAGEN, H.;LIESE-SAMER, T.;MEYER, N.;WUERZER, B.

  摘要：

  DOI：
• 作为产物：
  描述：

  3-氟苯磺酰氯 在 正丁基锂 、 硫酸 作用下， 以 四氢呋喃 、 氯仿 、 环己烷 为溶剂， 反应 42.75h， 生成 4-fluorobenzo[d]isothiazol-3(2H)-one 1,1-dioxide
  参考文献：
  名称：

  Pseudosaccharin amines as potent and selective K V 1.5 blockers

  摘要：

  Phenethyl aminoheterocycles like compound 1 were known to be potent I-Kur blockers although they lacked potency in vivo. Modification of the heterocycle led to the design and synthesis of pseudosaccharin amines. Compounds such as 14, 17d and 21c were found to be potent K(V)1.5 blockers and selective over other cardiac ion channels. These compounds had potent pharmacodynamic activity, however, they also showed off-target activities such as hemodynamic effects. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.02.066

文献信息

• Substituted sulfonylureas
  申请人：BASF

  公开号：US05032167A1

  公开（公告）日：1991-07-16

  Substituted sulfonylureas of the formula I ##STR1## where the substituents and indices have the following meanings: x is oxygen or sulfur; z is nitrogen or methine (=CH--); R.sup.1 is halogen or substituted or unsubstituted C.sub.1 -C.sub.4 -alkoxycarbonyl or C.sub.1 -C.sub.3 -alkoxy, or a radical --CONR.sup.6 R.sup.7, where R.sup.6 is hydrogen, C.sub.1 -C.sub.8 -alkyl or C.sub.1 -C.sub.6 -alkoxy and R.sup.7 is hydrogen or C.sub.1 -C.sub.8 -alkyl; R.sup.2 is halogen or substituted or unsubstituted C.sub.1 -C.sub.4 -alkoxy or C.sub.1 -C.sub.4 -alkyl; R.sup.3 is C.sub.1 -C.sub.4 -alkyl, C.sub.1 -C.sub.4 -alkylthio, C.sub.1 -C.sub.4 -haloalkyl, C.sub.1 -C.sub.4 -haloalkoxy, C.sub.1 -C.sub.4 -haloalkylthio, halogen, cyano, nitro, amino, mono-C.sub.1 -C.sub.4 -alkylamino, di-C.sub.1 -C.sub.4 -alkylamino, C.sub.2 -C.sub.6 -alkenyl, C.sub.1 -C.sub.4 -alkoxycarbonyl, C.sub.1 -C.sub.4 -alkanoyl or benzyl; a 5- or 6-membered saturated heterocycle which is attached by its nitrogen atom and which, besides methylene and a nitrogen, may also contain an oxygen or a sulfur atom; or, bonded to adjacent ring positions, --OCRR'O--, where R and R' are each hydrogen or C.sub.1 -C.sub.4 -alkyl; R.sup.4 is hydrogen or C.sub.1 -C.sub.4 -alkyl; R.sup.5 is halogen C.sub.1 -C.sub.4 -alkyl, C.sub.1 -C.sub.4 -alkoxy, C.sub.1 -C.sub.4 -alkylthio or C.sub.1 -C.sub.4 -haloalkyl; m is from 0 to 3 or, when R.sup.3 is halogen, from 0 to 5, differences among the R.sup.3 radicals being possible when m is 2 or 3; and n is from 0 to 2, a difference between the R.sup.5 radicals being possible when n is 2; and environmentally acceptable salts thereof, processes for their manufacture, and their use as herbicidal agents.

  公式I中的取代磺酰脲类化合物的翻译如下：其中取代基和指数具有以下含义：x为氧或硫；z为氮或亚甲基(=CH--)；R.sup.1为卤素或取代或未取代的C.sub.1 -C.sub.4 -烷氧羰基或C.sub.1 -C.sub.3 -烷氧基，或基团--CONR.sup.6 R.sup.7，其中R.sup.6为氢、C.sub.1 -C.sub.8 -烷基或C.sub.1 -C.sub.6 -烷氧基，R.sup.7为氢或C.sub.1 -C.sub.8 -烷基；R.sup.2为卤素或取代或未取代的C.sub.1 -C.sub.4 -烷氧基或C.sub.1 -C.sub.4 -烷基；R.sup.3为C.sub.1 -C.sub.4 -烷基、C.sub.1 -C.sub.4 -硫代烷基、C.sub.1 -C.sub.4 -卤代烷基、C.sub.1 -C.sub.4 -卤代烷氧基、C.sub.1 -C.sub.4 -卤代烷硫代烷基、卤素、氰基、硝基、氨基、单烷基氨基、双烷基氨基、C.sub.2 -C.sub.6 -烯基、C.sub.1 -C.sub.4 -烷氧羰基、C.sub.1 -C.sub.4 -烷酰基或苄基；一个通过其氮原子连接的5-或6-成员饱和杂环，除了亚甲基和一个氮外，还可能含有氧或硫原子；或者，与相邻的环位置结合的--OCRR'O--，其中R和R'各自为氢或C.sub.1 -C.sub.4 -烷基；R.sup.4为氢或C.sub.1 -C.sub.4 -烷基；R.sup.5为卤素C.sub.1 -C.sub.4 -烷基、C.sub.1 -C.sub.4 -烷氧基、C.sub.1 -C.sub.4 -烷硫基或C.sub.1 -C.sub.4 -卤代烷基；m为0至3，或当R.sup.3为卤素时，为0至5，当m为2或3时，R.sup.3基团之间可能存在差异；n为0至2，当n为2时，R.sup.5基团之间可能存在差异；及其环境可接受的盐，其制备方法及其作为除草剂的用途。
• [EN] 4-HALO-3 -AMINO- L, 2 -BENZISOTHIAZOLE COMPOUNDS AS PESTICIDES<br/>[FR] COMPOSÉS DE 4-HALO-3-AMINO-L,2-BENZISOTHIAZOLE COMME PESTICIDES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2010054926A1

  公开（公告）日：2010-05-20

  A compound of the formula I or where W, X and Y are for example each CH; R1 is H; R2 is halogen; and R6 is, for formula I, for example, OH, CN, C3-C8-cycloalkyl, C3-C8-cycloalkyl-C1 -C6-alkyl, C2-C6-alkenyl, C2-C6-haloalkenyl, C2-C6-alkenyloxy, C2-C6-alkynyl, C2-C6-haloalkynyl, C2-C6-alkynyloxy, optionally substituted C1 to C3-alkyl, or optionally substituted C1 -C6- alkoxy, or R6 is, for formula II, for example, CN, C3-C8-cycloalkyl, or optionally substituted C3-C6- alkyl; and/or salts thereof; and their use as as pesticidal agents.

  化合物的公式I或公式II，其中W、X和Y例如每个为CH；R1为H；R2为卤素；对于公式I，R6例如为OH、CN、C3-C8-环烷基、C3-C8-环烷基-C1-C6-烷基、C2-C6-烯基、C2-C6-卤代烯基、C2-C6-烯氧基、C2-C6-炔基、C2-C6-卤代炔基、C2-C6-炔氧基、可选地取代的C1到C3-烷基或可选地取代的C1-C6-烷氧基；或对于公式II，R6例如为CN、C3-C8-环烷基或可选地取代的C3-C6-烷基；以及它们的盐；以及它们作为杀虫剂的用途。
• CHEMICAL COMPOUNDS
  申请人：Hueter Ottmar Franz

  公开号：US20110218101A1

  公开（公告）日：2011-09-08

  A compound of the formula I or where W, X and Y are for example each CH; R 1 is H; R 2 is halogen; and R 6 is, for formula I, for example, OH, CN, C3-C8-cycloalkyl, C3-C8-cycloalkyl-C1-C6-alkyl, C2-C6-alkenyl, C2-C6-haloalkenyl, C2-C6-alkenyloxy, C2-C6-alkynyl, C2-C6-haloalkynyl, C2-C6-alkynyloxy, optionally substituted C1 to C3-alkyl, or optionally substituted C1-C6-alkoxy, or R 6 is, for formula II, for example, CN, C3-C8-cycloalkyl, or optionally substituted C3-C6-alkyl; and/or salts thereof; and their use as as pesticidal agents.

  化合物的公式为I或其中W、X和Y例如每个为CH；R1为H；R2为卤素；而对于公式I，R6例如为OH、CN、C3-C8环烷基、C3-C8环烷基-C1-C6烷基、C2-C6烯基、C2-C6卤代烯基、C2-C6烯氧基、C2-C6炔基、C2-C6卤代炔基、C2-C6炔氧基、可选地取代的C1到C3烷基，或可选地取代的C1-C6烷氧基；或者对于公式II，R6例如为CN、C3-C8环烷基或可选地取代的C3-C6烷基；以及它们的盐；以及它们作为杀虫剂的用途。
• Chemical compounds
  申请人：Hueter Ottmar Franz

  公开号：US08629284B2

  公开（公告）日：2014-01-14

  A compound of the formula I or where W, X and Y are for example each CH; R1 is H; R2 is halogen; and R6 is, for formula I, for example, OH, CN, C3-C8-cycloalkyl, C3-C8-cycloalkyl-C1-C6-alkyl, C2-C6-alkenyl, C2-C6-haloalkenyl, C2-C6-alkenyloxy, C2-C6-alkynyl, C2-C6-haloalkynyl, C2-C6-alkynyloxy, optionally substituted C1 to C3-alkyl, or optionally substituted C1-C6-alkoxy, or R6 is, for formula II, for example, CN, C3-C8-cycloalkyl, or optionally substituted C3-C6-alkyl; and/or salts thereof; and their use as as pesticidal agents.

  化合物的公式为I或其中W、X和Y例如每个是CH；R1是H；R2是卤素；而对于公式I，R6例如是OH、CN、C3-C8环烷基、C3-C8环烷基-C1-C6烷基、C2-C6烯基、C2-C6卤代烯基、C2-C6烯氧基、C2-C6炔基、C2-C6卤代炔基、C2-C6炔氧基、可选地取代的C1到C3烷基，或可选地取代的C1-C6烷氧基；或者对于公式II，R6例如是CN、C3-C8环烷基，或可选地取代的C3-C6烷基；以及它们的盐；以及它们作为杀虫剂的用途。
• HAMPRECHT, G.;HAGEN, H.;LIESE-SAMER, T.;MEYER, N.;WUERZER, B.
  作者：HAMPRECHT, G.、HAGEN, H.、LIESE-SAMER, T.、MEYER, N.、WUERZER, B.

  DOI：——

  日期：——