6-methoxycarbonyl-1,2-benzisothiazol-3-one | 63633-84-1

• 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: 6-methoxycarbonyl-1,2-benzisothiazol-3-one
• 英文别名: Methyl 3-Hydroxybenzo[d]isothiazole-6-carboxylate；methyl 3-oxo-1,2-benzothiazole-6-carboxylate
• CAS: 63633-84-1
• 化学式: C₉H₇NO₃S
• 分子量: 209.225
• InChiKey: CUBFALYXYLCKQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  80.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-oxo-2,3-dihydro-benzo[d]isothiazole-6-carboxylic acid 、 重氮甲烷 以 异丙醇 、 乙醚 为溶剂， 反应 0.17h， 以the 3-oxo-1,2-benzisothiazoline-6-carboxylic acid methyl ester is obtained as an oil的产率得到6-methoxycarbonyl-1,2-benzisothiazol-3-one
  参考文献：
  名称：

  2-(2-Furoyl)1,2-benzisothiazole-3-one, 2-(2-furoyl) saccharin, and

  摘要：

  本发明涉及某些新型酰基糖酰胺和酰基3-氧代-1,2-苯并异噻唑啉，其制备、制药组合物和治疗肺气肿的新方法。

  公开号：

  US04195023A1

文献信息

• METHOD FOR PRODUCING 3-HALO-1,2-BENZISOTHIAZOLES
  申请人：Sakaue Shigeki

  公开号：US20130005983A1

  公开（公告）日：2013-01-03

  A method for producing a 3-halo-1,2-benzisothiazole represented by the general formula (2): wherein R 1 is a hydrogen atom, an alkyl group having 1 to 4 carbon atoms, an alkoxy group having 1 to 4 carbon atoms, an alkoxycarbonyl group having 2 to 5 carbon atoms, a nitro group or a halogen atom, and X is a halogen atom, the method characterized by reacting a 1,2-benzisothiazol-3-one represented by the general formula (1): wherein R 1 is the same group as the R 1 defined in the above general formula (2), with a thionyl halide in a polar solvent. The 3-halo-1,2-benzisothiazole obtainable according to the method of the present invention is suitably used as production raw materials and the like for a medicament and the like.

  一种制备3-卤代-1,2-苯并异噻唑的方法，其化学式表示为（2）：其中R1是氢原子，具有1至4个碳原子的烷基，具有1至4个碳原子的烷氧基，具有2至5个碳原子的烷氧羰基，硝基或卤素原子，X是卤素原子，该方法的特征在于将一种化学式表示为（1）的1,2-苯并异噻唑-3-酮：其中R1是与上述化学式（2）中定义的R1相同的基团，在极性溶剂中与硫酰卤反应。根据本发明的方法获得的3-卤代-1,2-苯并异噻唑适用于作为药物等的生产原料等。
• 1,2-BENZISOTHIAZOL-3-ONE COMPOUND PRODUCTION METHOD
  申请人：Hiyama Takehiro

  公开号：US20130345433A1

  公开（公告）日：2013-12-26

  The present invention provides a method for producing 1,2-benzisothiazol-3-one compounds by reacting a 2-(alkylthio)benzonitrile compound with a halogenating agent in the presence of water, the method being characterized in that the reaction proceeds while the halogenating agent and water are gradually and simultaneously added to a reaction system containing the 2-(alkylthio)benzonitrile compound. The invention allows the simple and economical production of highly pure 1,2-benzisothiazol-3-one compounds, which are useful as antimicrobial agents, antifungal agents, etc.

  本发明提供了一种生产1,2-苯并异噻唑-3-酮化合物的方法，该方法通过在水存在下，将2-（烷基硫代）苯甲腈化合物与卤化剂反应，其特点在于在含有2-（烷基硫代）苯甲腈化合物的反应体系中逐渐同时加入卤化剂和水进行反应。该发明允许简单经济地生产高纯度的1,2-苯并异噻唑-3-酮化合物，这些化合物可用作抗微生物剂、抗真菌剂等。
• Method for producing alkylsulfinylbenzamides and 1,2-benzisothiazol-3-ones
  申请人：SUMITOMO SEIKA CHEMICALS CO., LTD.

  公开号：EP0657438A2

  公开（公告）日：1995-06-14

  A method for producing alkylthiobenzamide of formula (III) by carrying out a reaction of a halobenzamide with an alkanethiol in the presence of a base in a heterogeneous solvent; a method for producing an alkylsulfinylbenzamide by carrying out a reaction of an alkylthiobenzamide with a halogen in a heterogeneous solvent; a method for producing an alkylsulfinylbenzamide by carrying out a reaction of a halobenzamide with an alkanethiol in the presence of a base in a heterogeneous solvent and a subsequent reaction with a halogen; and a method for producing a 1,2-benzisothiazol-3-one of formula (VI) by carrying out a reaction of a 2-(alkylthio)benzamide with a halogenating agent.

  一种通过卤代苯甲酰胺在碱存在下于异相溶剂中与烷硫醇反应生产式(III)烷基硫代苯甲酰胺的方法； 一种通过烷基硫代苯甲酰胺在异相溶剂中与卤素反应生产烷基硫代苯甲酰胺的方法；一种在异相溶剂中，在碱存在下，通过卤代苯甲酰胺与烷硫醇的反应以及随后与卤素的反应生产烷基硫代苯甲酰胺的方法；以及一种通过 2-(烷硫基)苯甲酰胺与卤化剂的反应生产式(VI)的 1,2-苯并异噻唑-3-酮的方法。
• Method for producing 1,2-benzisothiazol-3-ones
  申请人：SUMITOMO SEIKA CHEMICALS CO., LTD.

  公开号：EP0702008A2

  公开（公告）日：1996-03-20

  A method for producing a 1,2-benzisothiazol-3-one, having the steps of carrying out a reaction of a 2-(alkylthio)benzaldehyde with a hydroxylamine to give a 2-(alkylthio)benzaldehyde oxime and carrying out a reaction of the 2-(alkylthio)benzaldehyde oxime with a halogenating agent; and a method for producing a 1,2-benzisothiazol-3-one, having the steps of carrying out a reaction of a 2-halobenzonitrile with an alkanethiol in a heterogeneous solvent system in the presence of a base to give a 2-(alkylthio)benzonitrile and carrying out a reaction of the 2-(alkylthio)benzonitrile with an halogenating agent in the presence of water.

  一种生产 1,2-苯并异噻唑-3-酮的方法，包括以下步骤：将 2-(烷硫基)苯甲醛与羟胺反应生成 2-(烷硫基)苯甲醛肟，并将 2-(烷硫基)苯甲醛肟与卤化剂反应；以及一种生产 1,2-苯并异噻唑-3-酮的方法，其步骤包括：在异相溶剂体系中，在碱存在下，使 2-卤代苯腈与烷硫醇反应，得到 2-(烷基硫基)苯腈；在水存在下，使 2-(烷基硫基)苯腈与卤化剂反应。
• Method for producing alkylsulfinylbenzamides
  申请人：SUMITOMO SEIKA CHEMICALS CO., LTD.

  公开号：EP0751123A2

  公开（公告）日：1997-01-02

  A method for producing an alkylthiobenzamide by carrying out a reaction of a halobenzamide with an alkanethiol in the presence of a base in a heterogeneous solvent; a method for producing an alkylsulfinylbenzamide by carrying out a reaction of an alkylthiobenzamide with a halogen in a heterogeneous solvent; a method for producing an alkylsulfinylbenzamide by carrying out a reaction of a halobenzamide with an alkanethiol in the presence of a base in a heterogeneous solvent and a subsequent reaction with a halogen; and a method for producing a 1,2-benzisothiazol-3-one by carrying out a reaction of a 2-(alkylthio)benzamide with a halogenating agent.

  一种在异相溶剂中，在碱存在下，通过卤代苯甲酰胺与烷硫醇反应生产烷基硫代苯甲酰胺的方法； 一种在异相溶剂中，通过烷基硫代苯甲酰胺与卤素反应生产烷基硫代苯甲酰胺的方法；一种在异相溶剂中，在碱存在下，通过卤代苯甲酰胺与烷硫醇的反应以及随后与卤素的反应生产烷基硫代苯甲酰胺的方法；以及一种通过 2-(烷硫基)苯甲酰胺与卤化剂的反应生产 1,2-苯并异噻唑-3-酮的方法。