5-(N-acetylamino)-2-bromo-4-fluorobenzenesulfonic acid | 97803-30-0

• 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: 5-(N-acetylamino)-2-bromo-4-fluorobenzenesulfonic acid
• 英文别名: 5-Acetamido-2-bromo-4-fluorobenzenesulfonic acid
• CAS: 97803-30-0
• 化学式: C₈H₇BrFNO₄S
• 分子量: 312.116
• InChiKey: XRBWNHAYOYZIPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  91.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-(N-acetylamino)-2-bromo-4-fluorobenzenesulfonic acid 生成 2-bromo-4-fluoro-5-acetaminothiophenol
  参考文献：
  名称：

  XAGA, TORU;NAGANO, EHJKI;JOSIDA, AKIRA;XASIMOTO, SYUNITI

  摘要：

  DOI：
• 作为产物：
  描述：

  4’-溴-3’-氟乙酰苯胺 生成 5-(N-acetylamino)-2-bromo-4-fluorobenzenesulfonic acid
  参考文献：
  名称：

  NAGANO, ELKI;YOSHIDA, RYO;MATSUMOTO, HIROSHI;HASHIMOTO, SHUNICHI;KAMOSHIT+

  摘要：

  DOI：

文献信息

• 2-Substituted phenyl-4,5,6,7-tetrahydro-2H-iso-indole-1,3-diones, and
  申请人：Sumitomo Chemical Company, Limited

  公开号：US04684397A1

  公开（公告）日：1987-08-04

  A 2-substituted phenyl-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione of the formula: ##STR1## wherein X is a chlorine atom or a bromine atom and R is a C.sub.1 -C.sub.6 alkyl group, a C.sub.3 -C.sub.7 cycloalkyl group, a C.sub.3 -C.sub.6 alkenyl group, a C.sub.3 -C.sub.6 alkynyl group, a C.sub.2 -C.sub.6 haloalkyl group, a C.sub.1 -C.sub.4 alkoxy(C.sub.1 -C.sub.4)alkyl group, a C.sub.1 -C.sub.6 alkoxycarbonyl(C.sub.1 -C.sub.3)alkyl group or a phenyl group, which is useful as a herbicide.

  一种公式为：##STR1## 其中X是氯原子或溴原子，R是C.sub.1-C.sub.6烷基、C.sub.3-C.sub.7环烷基、C.sub.3-C.sub.6烯基、C.sub.3-C.sub.6炔基、C.sub.2-C.sub.6卤代烷基、C.sub.1-C.sub.4烷氧基(C.sub.1-C.sub.4)烷基、C.sub.1-C.sub.6烷氧基羧酸(C.sub.1-C.sub.3)烷基或苯基的2-取代苯基-4,5,6,7-四氢-2H-异吲哚啉-1,3-二酮，其作为除草剂有用。
• 2-substituted phenyl-4,5,6,7,-tetrahydro-2H-indole-1,3,-diones, and
  申请人：Sumitomo Chemical Company, Limited

  公开号：US04709049A1

  公开（公告）日：1987-11-24

  3-Amino-4-fluoro-6-halophenylthioacetic acids of the formula: ##STR1## and 5-substituted acetanilides of the formula: ##STR2## , which are intermediary compounds for the synthesis of herbicidally effective 2-substituted phenyl-4,5,6,7-tetrahydro-2H-isoindole-1,3-diones of the formula: ##STR3## through the corresponding acid of the formula: ##STR4## (wherein X is a chlorine atom or a bromine atom, R is a C.sub.1 -C.sub.6 alkyl group, a C.sub.3 -C.sub.7 cycloalkyl group, a C.sub.3 -C.sub.6 alkenyl group, a C.sub.3 -C.sub.6 alkynyl group, a C.sub.2 -C.sub.6 haloalkyl group, a C.sub.1 -C.sub.4 alkoxy(C.sub.1 -C.sub.4)alkyl group, a C.sub.1 -C.sub.6 alkoxycarbonyl(C.sub.1 -C.sub.3)alkyl group or a phenyl group and Z is --NO.sub.2, --NH.sub.2, --SCH.sub.2 COOH, --SO.sub.2 Cl, --SO.sub.3 H or --SH).

  公式为：3-氨基-4-氟-6-卤代苯硫乙酸（如下图）和5-取代乙酰苯胺（如下图）是合成杀草有效的2-取代苯基-4,5,6,7-四氢-2H-异吲哚-1,3-二酮（如下图）的中间化合物，通过相应的酸（如下图）进行合成（其中X是氯原子或溴原子，R是C.sub.1-C.sub.6烷基，C.sub.3-C.sub.7环烷基，C.sub.3-C.sub.6烯基，C.sub.3-C.sub.6炔基，C.sub.2-C.sub.6卤代烷基，C.sub.1-C.sub.4烷氧（C.sub.1-C.sub.4）烷基，C.sub.1-C.sub.6烷氧羰基（C.sub.1-C.sub.3）烷基或苯基，Z是--NO.sub.2，--NH.sub.2，--SCH.sub.2COOH，--SO.sub.2Cl，--SO.sub.3H或--SH）。
• 2-substituted phenyl-4,5,6,7-tetrahydro-2H-isoindole-1,3-diones, and
  申请人：Sumitomo Chemical Company, Limited

  公开号：US04801408A1

  公开（公告）日：1989-01-31

  3-Amino-4-fluoro-6-halophenylthioacetic acids of the formula: ##STR1## and 5-substituted acetanilides of the formula: ##STR2## which are intermediary compounds for the synthesis of herbicidally effective 2-substituted phenyl-4,5,6,7-tetrahydro-2H-isoindole-1,3-diones of the formula: ##STR3## through the corresponding acid of the formula: ##STR4## (wherein X is a chlorine atom or a bromine atom, R is a C.sub.1 -C.sub.6 alkyl group, a C.sub.3 -C.sub.7 cycloalkyl group, a C.sub.3 -C.sub.6 alkenyl group, a C.sub.3 -C.sub.6 alkynyl group, a C.sub.2 -C.sub.6 haloalkyl group, a C.sub.1 -C.sub.4 alkoxy(C.sub.1 -C.sub.4)alkyl group, a C.sub.1 -C.sub.6 alkoxycarbonyl(C.sub.1 -C.sub.3)alkyl group or a phenyl group and Z is --NO.sub.2, --NH.sub.2, --SCH.sub.2 COOH, --SO.sub.2 Cl, --SO.sub.3 H or --SH).

  该文献描述了公式为：##STR1##的3-氨基-4-氟-6-卤代苯硫基乙酸和公式为：##STR2##的5-取代乙酰苯胺是合成具有除草效果的公式为：##STR3##的2-取代苯基-4,5,6,7-四氢-2H-异吲哚-1,3-二酮的中间体化合物，通过相应的酸公式：##STR4##（其中X是氯原子或溴原子，R是C.sub.1-C.sub.6烷基，C.sub.3-C.sub.7环烷基，C.sub.3-C.sub.6烯基，C.sub.3-C.sub.6炔基，C.sub.2-C.sub.6卤代烷基，C.sub.1-C.sub.4烷氧（C.sub.1-C.sub.4）烷基，C.sub.1-C.sub.6烷氧羰基（C.sub.1-C.sub.3）烷基或苯基，Z为--NO.sub.2，--NH.sub.2，--SCH.sub.2 COOH，--SO.sub.2 Cl，--SO.sub.3 H或--SH）。
• ——
  作者：NAGANO XIDEHESI、 JOSIDA AKIRA、 MATSUMOTO XIROSI、 XASIMOTO SYUNITI、 KAMOSI+

  DOI：——

  日期：——
• US4684397A
  申请人：——

  公开号：US4684397A

  公开（公告）日：1987-08-04