6-氟-2(3氢)苯噻唑酮 | 63754-96-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 中文名称: 6-氟-2(3氢)苯噻唑酮
• 中文别名: 6-氟苯并噻唑酮；2(3H)-6-氟苯并噻唑酮；6-氟-2(3H)-苯并噻唑酮
• 英文名称: 6-Fluorbenzothiazol-2-on
• 英文别名: 6-Fluoro-2(3H)-benzothiazolone；6-fluoro-2-benzothiazolinone；6-fluoro-3H-benzothiazol-2-one；6-fluoro-2-oxobenzothiazoline；6-fluoro-3H-1,3-benzothiazol-2-one
• CAS: 63754-96-1
• 化学式: C₇H₄FNOS
• mdl: MFCD01663356
• 分子量: 169.179
• InChiKey: HCFZOCSVSDAYQF-UHFFFAOYSA-N

物化性质

• 熔点：
  188.4 °C
• 密度：
  1.474±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  11
• 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：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  6-氟-2(3氢)苯噻唑酮 在 硝酸 作用下， 以 硫酸 为溶剂， 生成 6-氟-5-硝基-1,3-苯并噻唑-2(3H)-酮
  参考文献：
  名称：

  Benzothiazolylazolidines, and their production and use

  摘要：

  一种化合物的分子式为：##STR1## 其中R是C.sub.1 -C.sub.5烷基，C.sub.3 -C.sub.5烯基，C.sub.3 -C.sub.5炔基或C.sub.1 -C.sub.3烷氧（C.sub.1 -C.sub.3）烷基，X是氮原子或亚甲基基团，Y是硫原子或氧原子，可用作除草剂。

  公开号：

  US04786310A1
• 作为产物：
  描述：

  2-氯-6-氟苯并噻唑 在 盐酸 作用下， 以45%的产率得到6-氟-2(3氢)苯噻唑酮
  参考文献：
  名称：

  Analgesic and antipyretic pharmaceutical compositions containing a

  摘要：

  镇痛和退热药物剂量单位组合物，含有作为活性成分的化合物，其化学式为##STR1##其中R.sub.5为甲基或甲氧基，R.sub.4、R.sub.6和R.sub.7为氢；或R.sub.6为氟或氯，R.sub.4、R.sub.5和R.sub.7为氢；或R.sub.7为氯，R.sub.4、R.sub.5和R.sub.6为氢；或R.sub.5和R.sub.6为甲氧基，R.sub.4和R.sub.7为氢；或R.sub.4为甲基或氯，R.sub.5、R.sub.6和R.sub.7为氢；以及使用所述化合物作为镇痛和退热药物的方法。

  公开号：

  US04353919A1

文献信息

• Benzo-fused cyclic compounds
  申请人：Nihon Tokushu Noyaku Seizo K.K.

  公开号：US04902335A1

  公开（公告）日：1990-02-20

  Herbicidal benzo-fused cyclic compounds of the formula ##STR1## wherein Q is ##STR2## Y is O or S, W is ##STR3## T is O, S, --NH-- or ##STR4## and R.sup.4 may represent, together with T, chlorine, Z is O or S, X is hydrogen or halogen, n is 0 or 1 and R is C.sub.3-6 cycloalkyl, an optionally substituted 5-membered heterocyclic group or an optionally substituted 6-membered heteroaromatic group which contains one to three nitrogen atoms, and salts thereof.

  公式为##STR1##的除草苯融合环化合物，其中Q为##STR2##，Y为O或S，W为##STR3##，T为O、S、--NH--或##STR4##，R.sup.4可能表示，与T一起，氯，Z为O或S，X为氢或卤素，n为0或1，R为C.sub.3-6环烷基，一个可选择取代的5-成员杂环基团或一个可选择取代的含有一到三个氮原子的6-成员杂芳基团，以及其盐。
• Analgesic and antipyretic pharmaceutical compositions containing a
  申请人：Dr. Karl Thomae Gesellschaft mit beschrankter Haftung

  公开号：US04353919A1

  公开（公告）日：1982-10-12

  Analgesic and antipyretic pharmaceutical dosage unit compositions containing as an active ingredient a compound of the formula ##STR1## wherein R.sub.5 is methyl or methoxy, and R.sub.4, R.sub.6 and R.sub.7 are hydrogen; or R.sub.6 is fluorine or chlorine, and R.sub.4, R.sub.5 and R.sub.7 are hydrogen; or R.sub.7 is chlorine, and R.sub.4, R.sub.5 and R.sub.6 are hydrogen; or R.sub.5 and R.sub.6 are methoxy, and R.sub.4 and R.sub.7 are hydrogen; or R.sub.4 is methyl or chlorine, and R.sub.5, R.sub.6 and R.sub.7 are hydrogen; and methods of using said compounds as analgesics and antipyretics.

  镇痛和退热药物剂量单位组合物，含有作为活性成分的化合物，其化学式为##STR1##其中R.sub.5为甲基或甲氧基，R.sub.4、R.sub.6和R.sub.7为氢；或R.sub.6为氟或氯，R.sub.4、R.sub.5和R.sub.7为氢；或R.sub.7为氯，R.sub.4、R.sub.5和R.sub.6为氢；或R.sub.5和R.sub.6为甲氧基，R.sub.4和R.sub.7为氢；或R.sub.4为甲基或氯，R.sub.5、R.sub.6和R.sub.7为氢；以及使用所述化合物作为镇痛和退热药物的方法。
• Process for the preparation of 2(3H)-benzothiazolones
  申请人：Hoechst AG

  公开号：US05594145A1

  公开（公告）日：1997-01-14

  The process for the preparation of 2(3H)-benzothiazolones which are optionally substituted on the benzene ring by reacting a 2-aminobenzothiazole which is optionally substituted on the benzene ring with a diazotization agent in the presence of aqueous hydrochloric acid, if appropriate with addition of a chloride, to give a diazonium chloride, reacting the diazonium chloride directly to give a 2-chlorobenzothiazole, which is optionally substituted on the benzene ring, and hydrolyzing the 2-chlorobenzothiazole, without intermediate isolation, at 120.degree.-200.degree. C. under reaction pressure.

  制备2(3H)-苯并噻唑酮的过程，可以通过将一种选择性取代苯环的2-氨基苯并噻唑与重氮化试剂在水盐酸存在下反应，如有必要加入氯化物，以得到重氮化氯化物，直接将重氮化氯化物反应，得到一种选择性取代苯环的2-氯苯并噻唑，然后在120℃-200℃的反应压力下，不经过中间分离，水解2-氯苯并噻唑。
• Benzothiazolones, and their production and use as herbicides
  申请人：Sumitomo Chemical Company, Limited

  公开号：US04720297A1

  公开（公告）日：1988-01-19

  A compound of the formula: ##STR1## wherein R is a hydrogen atom, a C.sub.1 -C.sub.5 alkyl group, a C.sub.3 -C.sub.4 alkenyl group, a C.sub.3 -C.sub.4 alkynyl group, a halo(C.sub.1 -C.sub.4)alkyl group, a halo(C.sub.3 -C.sub.4)alkenyl group, a halo(C.sub.3 -C.sub.4)alkynyl group, a C.sub.1 -C.sub.2 alkoxy(C.sub.1 -C.sub.2)alkyl group, a C.sub.1 -C.sub.2 alkoxy(C.sub.1 -C.sub.2)alkoxy(C.sub.1 -C.sub.2)alkyl group, a cinnamyl group, a cyano(C.sub.1 -C.sub.3)alkyl group, a carboxy(C.sub.1 -C.sub.3)alkyl group, a C.sub.1 -C.sub.5 alkoxycarbonyl(C.sub.1 -C.sub.3)alkyl group, a halo(C.sub.1 -C.sub.5)alkoxycarbonyl(C.sub.1 -C.sub.3)alkyl group, a C.sub.1 -C.sub.2 alkoxy(C.sub.1 -C.sub.2)alkoxycarbonyl(C.sub.1 -C.sub.3)alkyl group, a C.sub.1 -C.sub.5 alkoxycarbonyl(C.sub.1 -C.sub.2)alkoxycarbonyl(C.sub.1 -C.sub.3)alkyl group, a cyclo(C.sub.3 -C.sub.6)alkoxycarbonyl(C.sub.1 -C.sub.3)alkyl group, a C.sub.1 -C.sub.5 alkylaminocarbonyl(C.sub.1 -C.sub. 3)alkyl group or a di(C.sub.1 -C.sub.5)alkylaminocarbonyl(C.sub.1 -C.sub.3)alkyl group, which is useful as a herbicide.

  一种化合物的化学式：##STR1## 其中R是氢原子、C.sub.1-C.sub.5烷基、C.sub.3-C.sub.4烯基、C.sub.3-C.sub.4炔基、卤代(C.sub.1-C.sub.4)烷基、卤代(C.sub.3-C.sub.4)烯基、卤代(C.sub.3-C.sub.4)炔基、C.sub.1-C.sub.2烷氧基(C.sub.1-C.sub.2)烷基、C.sub.1-C.sub.2烷氧基(C.sub.1-C.sub.2)烷氧基(C.sub.1-C.sub.2)烷基、肉桂基、氰基(C.sub.1-C.sub.3)烷基、羧基(C.sub.1-C.sub.3)烷基、C.sub.1-C.sub.5烷氧羰基(C.sub.1-C.sub.3)烷基、卤代(C.sub.1-C.sub.5)烷氧羰基(C.sub.1-C.sub.3)烷基、C.sub.1-C.sub.2烷氧基(C.sub.1-C.sub.2)烷氧羰基(C.sub.1-C.sub.3)烷基、C.sub.1-C.sub.5烷氧羰基(C.sub.1-C.sub.2)烷氧羰基(C.sub.1-C.sub.3)烷基、环(C.sub.3-C.sub.6)烷氧羰基(C.sub.1-C.sub.3)烷基、C.sub.1-C.sub.5烷基氨羰基(C.sub.1-C.sub.3)烷基或二(C.sub.1-C.sub.5)烷基氨羰基(C.sub.1-C.sub.3)烷基，其作为除草剂有用。
• Benzothiazolones, and their production and use
  申请人：Sumitomo Chemical Company, Limited

  公开号：US04888428A1

  公开（公告）日：1989-12-19

  A compound of the formula: ##STR1## wherein R is a hydrogen atom, a C.sub.1 -C.sub.5 alkyl group, a C.sub.3 -C.sub.4 alkenyl group, a C.sub.3 -C.sub.4 alkynyl group, a halo(C.sub.1 -C.sub.4)alkyl group, a halo(C.sub.3 -C.sub.4)alkenyl group, a halo(C.sub.3 -C.sub.4)alkynyl group, a C.sub.1 -C.sub.2 alkoxy(C.sub.1 -C.sub.2) alkyl group, a C.sub.1 -C.sub.2 alkoxy(C.sub.1 -C.sub.2)alkoxy(C.sub.1 -C.sub.2)alkyl group, a cinnamyl group, a cyano(C.sub.1 -C.sub.3)alkyl group, a carboxy(C.sub.1 -C.sub.3)alkyl group, a C.sub.1 -C.sub.5 alkoxycarbonyl(C.sub.1 -C.sub.3)alkyl group, a halo(C.sub.1 -C.sub.5)alkoxycarbonyl(C.sub.1 -C.sub.3)alkyl group, a C.sub.1 -C.sub.2 alkoxyalkoxycarbonyl(C.sub. 1 -C.sub.3)alkyl group, a C.sub.1 -C.sub.2 alkoxy (C.sub.1 -C.sub.2)alkoxycarbonyl(C.sub.1 -C.sub.3)alkyl group, a C.sub.1 -C.sub.5 alkoxycarbonyl(C.sub.1 -C.sub.2)-alkoxycarbonyl(C.sub.1 -C.sub.3)alkyl group, a cyclo(C.sub.3 -C.sub.6)alkoxycarbonyl(C.sub.1 -C.sub.3)alkyl group, a C.sub.1 -C.sub.5 alkylaminocarbonyl(C.sub.1 -C.sub.3)alkyl group or a di-(C.sub.1 -C.sub.5)alkylaminocarbonyl(C.sub.1 -C.sub.3)alkyl group and A is an amino group or a nitro group, is disclosed. These compounds are useful as intermediates in the synthetic of benzothiazolone herbicides.

  公式为：##STR1## 其中R为氢原子、C.sub.1-C.sub.5烷基、C.sub.3-C.sub.4烯基、C.sub.3-C.sub.4炔基、卤代(C.sub.1-C.sub.4)烷基、卤代(C.sub.3-C.sub.4)烯基、卤代(C.sub.3-C.sub.4)炔基、C.sub.1-C.sub.2烷氧基(C.sub.1-C.sub.2)烷基、C.sub.1-C.sub.2烷氧基(C.sub.1-C.sub.2)烷氧基(C.sub.1-C.sub.2)烷基、肉桂基、氰基(C.sub.1-C.sub.3)烷基、羧基(C.sub.1-C.sub.3)烷基、C.sub.1-C.sub.5烷氧羰基(C.sub.1-C.sub.3)烷基、卤代(C.sub.1-C.sub.5)烷氧羰基(C.sub.1-C.sub.3)烷基、C.sub.1-C.sub.2烷氧基烷氧羰基(C.sub.1-C.sub.3)烷基、C.sub.1-C.sub.2烷氧基(C.sub.1-C.sub.2)烷氧羰基(C.sub.1-C.sub.3)烷基、C.sub.1-C.sub.5烷氧羰基(C.sub.1-C.sub.2)-烷氧羰基(C.sub.1-C.sub.3)烷基、环(C.sub.3-C.sub.6)烷氧羰基(C.sub.1-C.sub.3)烷基、C.sub.1-C.sub.5烷基氨基羰基(C.sub.1-C.sub.3)烷基或二-(C.sub.1-C.sub.5)烷基氨基羰基(C.sub.1-C.sub.3)烷基，A为氨基或硝基。这些化合物可用作苯并噻唑酮除草剂合成中间体。