3-(chlorosulfonyl)-2-thiophenecarbonyl chloride | 59337-91-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 3-(chlorosulfonyl)-2-thiophenecarbonyl chloride
• 英文别名: 3-chlorosulfonyl-thiophene-2-carboxylic acid chloride；3-chlorosulfonylthiophen-2-ylcarbonyl chloride；3-chlorosulfonylthiophene-2-carboxylic chloride；3-Chlorosulfonylthiophene-2-carboxylic acid chloride；3-chlorosulfonylthiophene-2-carbonyl chloride
• CAS: 59337-91-6
• 化学式: C₅H₂Cl₂O₃S₂
• mdl: MFCD19200210
• 分子量: 245.107
• InChiKey: RVOCCTALZIEBJL-UHFFFAOYSA-N

物化性质

• 沸点：
  368.6±27.0 °C(Predicted)
• 密度：
  1.726±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  87.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(chlorosulfonyl)-2-thiophenecarbonyl chloride 在 吡啶 、 sodium methylate 作用下， 以 甲醇 、 氯仿 、 xylene 为溶剂， 反应 12.67h， 生成 替诺昔康
  参考文献：
  名称：

  Analogs and derivatives of tenoxicam. 1. Synthesis and antiinflammatory activities of analogs with different residues on the ring nitrogen and the amide nitrogen

  摘要：

  The synthesis of tenoxicam, 4-hydroxy-2-methyl-N-2-pyridyl-2H-thieno[2,3-e]-1,2-thiazine-3-carboxami de 1,1-dioxide (1e), and of the analogues with various residues on the ring nitrogen and the amide nitrogen is described. This new class of "oxicams" has pronounced antiinflammatory and analgesic properties. The very specific structure-activity relationship of isomeric and isosteric groups at the amide nitrogen has been evaluated. The substituent in position 2 also has a great influence on the pharmacological properties. Tenoxicam is presently undergoing clinical trials.

  DOI：

  10.1021/jm00387a017
• 作为产物：
  描述：

  3-氯噻吩-2-羧酸 在 sodium hydroxide 、 五氯化磷 、 potassium chloride 、 sodium hydrogensulfite 、 copper(l) chloride 、 三氯氧磷 作用下， 以 水 为溶剂， 反应 17.5h， 生成 3-(chlorosulfonyl)-2-thiophenecarbonyl chloride
  参考文献：
  名称：

  Analogs and derivatives of tenoxicam. 1. Synthesis and antiinflammatory activities of analogs with different residues on the ring nitrogen and the amide nitrogen

  摘要：

  The synthesis of tenoxicam, 4-hydroxy-2-methyl-N-2-pyridyl-2H-thieno[2,3-e]-1,2-thiazine-3-carboxami de 1,1-dioxide (1e), and of the analogues with various residues on the ring nitrogen and the amide nitrogen is described. This new class of "oxicams" has pronounced antiinflammatory and analgesic properties. The very specific structure-activity relationship of isomeric and isosteric groups at the amide nitrogen has been evaluated. The substituent in position 2 also has a great influence on the pharmacological properties. Tenoxicam is presently undergoing clinical trials.

  DOI：

  10.1021/jm00387a017

文献信息

• Sulfonylureas
  申请人：Ciba-Geigy Corporation

  公开号：US05342823A1

  公开（公告）日：1994-08-30

  N-Arylsulfonyl-N'-pyrimidinyl-and N'-triazinylureas of formula I ##STR1## wherein Q is ##STR2## R is hydrogen or methyl; R.sub.1 is hydrogen, fluoro, chloro, C.sub.1 -C.sub.4 alkyl or methoxy; R.sub.2 is hydrogen, fluoro or chloro; R.sub.3, R.sub.4, R.sub.5, R.sub.6 and R.sub.7 are each independently of one another hydrogen or C.sub.1-C.sub.4 alkyl; R.sub.8, R.sub.9, R.sub.10, R.sub.11 and R.sub.12 are each independently of one another hydrogen or C.sub.1 -C.sub.4 alkyl; R.sub.13, R.sub.14, R.sub.15, R.sub.16 and R.sub.17 are each independently of one another hydrogen or C.sub.1 -C.sub.4 alkyl; Z is methyl or 2-pyridyl; E is methine or nitrogen; X is C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 alkoxy, C.sub.1 -C.sub.4 haloalkoxy, C.sub.1 -C.sub.4 haloalkylthio, C.sub.1 -C.sub.4 alkylthio, C.sub.2 -C.sub.5 alkoxyalkyl, C.sub.2 -C.sub.5 alkoxyalkoxy, C.sub.2 -C.sub.5 alkylthioalkyl or cyclopropyl; Y is C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 alkoxy, C.sub.1 -C.sub.4 haloalkoxy, C.sub.1 -C.sub.4 haloalkyl, C.sub.1 -C.sub.4 haloalkylthio, C.sub.1 -C.sub.4 alkylthio, halogen, C.sub.2 -C.sub.5 alkoxyalkyl, C.sub.2 -C.sub.5 alkoxyalkoxy, amino, C.sub.1 -C.sub.3 alkylamino or di-(C.sub.1 -C.sub.3 alkyl)amino; and the salts of these compounds with amines, alkali metal or alkaline earth metal bases or with quaternary ammonium bases, have good pre-and postemergence selective herbicidal and growth regulating properties.

  N-芳基磺酰基-N'-嘧啶基和N'-三嗪基脲的化学式I ##STR1## 其中Q为##STR2## R为氢或甲基；R.sub.1为氢、氟、氯、C.sub.1-C.sub.4烷基或甲氧基；R.sub.2为氢、氟或氯；R.sub.3、R.sub.4、R.sub.5、R.sub.6和R.sub.7各自独立地为氢或C.sub.1-C.sub.4烷基；R.sub.8、R.sub.9、R.sub.10、R.sub.11和R.sub.12各自独立地为氢或C.sub.1-C.sub.4烷基；R.sub.13、R.sub.14、R.sub.15、R.sub.16和R.sub.17各自独立地为氢或C.sub.1-C.sub.4烷基；Z为甲基或2-吡啶基；E为亚甲基或氮；X为C.sub.1-C.sub.4烷基、C.sub.1-C.sub.4烷氧基、C.sub.1-C.sub.4卤代烷氧基、C.sub.1-C.sub.4卤代烷基硫、C.sub.1-C.sub.4烷基硫、C.sub.2-C.sub.5烷氧基烷基、C.sub.2-C.sub.5烷氧基烷氧基、C.sub.2-C.sub.5烷基硫烷基或环丙基；Y为C.sub.1-C.sub.4烷基、C.sub.1-C.sub.4烷氧基、C.sub.1-C.sub.4卤代烷氧基、C.sub.1-C.sub.4卤代烷基、C.sub.1-C.sub.4卤代烷基硫、C.sub.1-C.sub.4烷基硫、卤素、C.sub.2-C.sub.5烷氧基烷基、C.sub.2-C.sub.5烷氧基烷氧基、氨基、C.sub.1-C.sub.3烷基氨基或二-(C.sub.1-C.sub.3烷基)氨基；以及这些化合物与胺、碱金属或碱土金属碱或季铵碱的盐具有良好的前期和后期选择性除草和生长调节性能。
• Thienothiazines
  申请人：Hoffmann-La Roche Inc.

  公开号：US04076709A1

  公开（公告）日：1978-02-28

  The present invention relates to compounds of the formula ##STR1## wherein A together with the two carbon atoms to which it is attached forms the group ##STR2## AND THE BROKEN LINE REPRESENTS THE DOUBLE BOND IN GROUP (A); R.sub.1 represents a lower alkyl group; R.sub.2 represents the residue of an aromatic heterocyclic ring containing from 1 to 4 hetero atoms, which may be substituted by one or two lower alkyl groups, or a phenyl group which may be substituted by halogen, hydroxy, lower alkyl, trifluoromethyl or lower alkoxy and R.sub.3 and R.sub.4 each represent a hydrogen atom or a lower alkyl group. Also provided are methods for their preparation. The thienothiazine derivatives provided by this invention have anti-flammatory, analgesic and antirheumatic activity.

  本发明涉及以下式的化合物：其中A与其连接的两个碳原子一起形成该基团，而断裂的线代表基团(A)中的双键；R.sub.1代表较低的烷基基团；R.sub.2代表含有1至4个杂原子的芳香杂环环的残基，可能被一个或两个较低的烷基基团取代，或者是一个苯基，可能被卤素、羟基、较低的烷基、三氟甲基或较低的烷氧基取代，而R.sub.3和R.sub.4分别代表氢原子或较低的烷基基团。还提供了它们的制备方法。本发明提供的噻吩噻嗪衍生物具有抗炎、镇痛和抗风湿活性。
• Thiophene saccharines
  申请人：BASF Aktiengesellschaft

  公开号：US04028373A1

  公开（公告）日：1977-06-07

  Thiophene analogs of saccharine, i.e., the new compounds 2,3-dihydro-3-oxothieno-[3,4-d]-, -[2,3-d]- and -[3,2-d]-isothiazole-1,1-dioxide, and processes for their manufacture. The new compounds are excellent sweeteners and have no unpleasant taste.

  硫代噻唑糖精的类似物，即新化合物2,3-二氢-3-氧代噻吩-[3,4-d]-、-[2,3-d]-和-[3,2-d]-异噻唑-1,1-二氧化物，以及它们的制备方法。这些新化合物是优秀的甜味剂，没有不愉快的味道。
• Thienothiazine derivatives
  申请人：Hoffman-La Roche Inc.

  公开号：US04177193A1

  公开（公告）日：1979-12-04

  The present invention relates to compounds of the formula ##STR1## wherein A together with the two carbon atoms to which it is attached forms the group ##STR2## and the broken line represents the double bond in group (a); R.sub.1 represents a lower alkyl group; R.sub.2 represents the residue of an aromatic heterocyclic ring containing from 1 to 4 hetero atoms, which may be substituted by one or two lower alkyl groups, or a phenyl group which may be substituted by halogen, hydroxy, lower alkyl, trifluoromethyl or lower alkoxy and R.sub.3 and R.sub.4 each represent a hydrogen atom or a lower alkyl group. Also provided are methods for their preparation. The thienothiazine derivatives provided by this invention have anti-flammatory, analgesic and anti-rheumatic activity.

  本发明涉及公式##STR1##中的化合物，其中A与其连接的两个碳原子组成##STR2##，折线表示组(a)中的双键; R.sub.1代表较低的烷基基团; R.sub.2代表含有1至4个杂原子的芳香杂环环的残基，可以被一个或两个较低的烷基基团取代，或者是可以被卤素、羟基、较低的烷基、三氟甲基或较低的烷氧基取代的苯基; R.sub.3和R.sub.4分别代表氢原子或较低的烷基基团。本发明还提供了它们的制备方法。本发明提供的噻唑噻吩衍生物具有抗炎、镇痛和抗风湿活性。
• Thiophene derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US04230873A1

  公开（公告）日：1980-10-28

  The invention relates to sulphothiophene-carboxylic acids of the following formula ##STR1## wherein A together with the two carbon atoms to which it is attached forms the group ##STR2## and the broken line represents the double bond present in group (a), R.sub.3 and R.sub.4 each represent a hydrogen atom or a lower alkyl group; and the halides and lower alkyl esters thereof.

  本发明涉及以下式子的硫代噻吩羧酸：##STR1## 其中，A与其连接的两个碳原子形成如下的基团：##STR2## 断裂的线表示基团(a)中存在的双键，R3和R4分别表示氢原子或低碳基；以及其卤化物和低碳酸酯。