2-(4-chloro-2-fluoro-5-carboxymethylthiophenyl)-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione | 95635-40-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯啉
• 英文名称: 2-(4-chloro-2-fluoro-5-carboxymethylthiophenyl)-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione
• 英文别名: 2-(5-carboxymethylthio-4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione；2-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-4-fluorophenyl]sulfanylacetic acid
• CAS: 95635-40-8
• 化学式: C₁₆H₁₃ClFNO₄S
• 分子量: 369.801
• InChiKey: MFCVDBZGYBLBIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(4-chloro-2-fluoro-5-carboxymethylthiophenyl)-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione 生成 Ethyl 2-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-4-fluorophenyl]sulfanylacetate
  参考文献：
  名称：

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

  摘要：

  DOI：
• 作为产物：
  描述：

  [(5-Amino-2-chloro-4-fluorophenyl)sulfanyl]acetic acid 、 3,4,5,6-四氢苯酐 生成 2-(4-chloro-2-fluoro-5-carboxymethylthiophenyl)-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione
  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##的2-取代苯基-4,5,6,7-四氢-2H-异吲哚-1,3-二酮，其中X为氯原子或溴原子，R为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，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：3-氨基-4-氟-6-卤代苯硫乙酸（如下式）和5-取代苯乙酰胺（如下式），是合成除草有效的2-取代苯基-4,5,6,7-四氢-2H-异吲哚-1,3-二酮（如下式）的中间体化合物，其可通过相应的酸（如下式）合成（其中X为氯原子或溴原子，R为C1-C6烷基、C3-C7环烷基、C3-C6烯基、C3-C6炔基、C2-C6卤代烷基、C1-C4烷氧基（C1-C4）烷基、C1-C6烷氧羰基（C1-C3）烷基或苯基，Z为--NO2、--NH2、--SCH2COOH、--SO2Cl、--SO3H或--SH）。
• Tetrahydrophthalimide derivatives and their use as herbicides
  申请人：Sumitomo Chemical Company, Limited

  公开号：US05466663A1

  公开（公告）日：1995-11-14

  There is disclosed a compound of the formula: ##STR1## wherein X is hydrogen or halogen; Y is halogen; Z is oxygen or sulfur; R.sup.1 is hydrogen or alkyl; and R.sup.2 is a group of the formula: ##STR2## wherein R.sup.3 and R.sup.4 are the same or different, and each is hydrogen, alkyl, cycloalkyl or benzyl, or the ends of R.sup.3 and R.sup.4 are connected together to be alkylene; or R.sup.2 is a group of the formula: ##STR3## wherein R.sup.5 and R.sup.6 are the same or different, and each is hydrogen or alkyl, or the ends of R.sup.5 and R.sup.6 are connected together to be alkylene, with the proviso that R.sup.2 is a group of the formula: ##STR4## when Z is oxygen, which is useful as a herbicide.

  公开了一种化合物，其化学式为：##STR1## 其中X为氢或卤素；Y为卤素；Z为氧或硫；R.sup.1为氢或烷基；R.sup.2为下列化学式的基团：##STR2## 其中R.sup.3和R.sup.4相同或不同，且每个都为氢、烷基、环烷基或苄基，或R.sup.3和R.sup.4的末端连接在一起形成烷基；或者R.sup.2为下列化学式的基团：##STR3## 其中R.sup.5和R.sup.6相同或不同，且每个都为氢或烷基，或R.sup.5和R.sup.6的末端连接在一起形成烷基，但有条件是当Z为氧时，R.sup.2为下列化学式的基团：##STR4## 该化合物可用作除草剂。
• NAGANO, ELKI;YOSHIDA, RYO;MATSUMOTO, HIROSHI;HASHIMOTO, SHUNICHI;KAMOSHIT+
  作者：NAGANO, ELKI、YOSHIDA, RYO、MATSUMOTO, HIROSHI、HASHIMOTO, SHUNICHI、KAMOSHIT+

  DOI：——

  日期：——
• NAGANO, XIDEHESI;JOSIDA, AKIRA;MATSUMOTO, KEHJDZI;XASIMOTO, SYUNZITI;KAMO+
  作者：NAGANO, XIDEHESI、JOSIDA, AKIRA、MATSUMOTO, KEHJDZI、XASIMOTO, SYUNZITI、KAMO+

  DOI：——

  日期：——