S-(benzothiazol-2-yl) thiopivalate

• 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: S-(benzothiazol-2-yl) thiopivalate
• 英文别名: S-(1,3-benzothiazol-2-yl) 2,2-dimethylpropanethioate
• 化学式: C₁₂H₁₃NOS₂
• mdl: MFCD00726529
• 分子量: 251.373
• InChiKey: AEDQSVQIZOANMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  83.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N-(苯基乙酰基)苯并噻唑啉-2-硫酮 在 三乙胺 作用下， 以 氘代氯仿 、 二氯甲烷 、 苯 为溶剂， 反应 6.0h， 生成 S-(benzothiazol-2-yl) thiopivalate
  参考文献：
  名称：

  Acylation and Alkoxycarbony-lation of Benzoxazoline-2-thione and Benzothiazoline-2-thione

  摘要：

  Acylation of benzoxazoline-2-thione (1) and benzothiazoline-2-thione (2) with acetic anhydride (3) and acyl chlorides (4) gave N-acyl (5, 6) and/or S-acyl (7, 8) derivatives depending on the nature of acylating agents and bases used. Alkoxycarbonylation of 1 with aralkyl chlorocarbonates (9) gave N-alkoxycarbonyl derivatives (10) mainly, while that of 2 with aralkyl chloroccarbonates (9) gave S-alkoxycarbonyl derivatives (12) exclusively. Photolysis of N-acyl derivatives (5 or 6) in the presence of alcohols afforded 1 or 2, respectively, together with esters (16).

  DOI：

  10.3987/com-03-s(p)10

文献信息

• Method for Producing Carboxylic Acid Thioester
  申请人：Mitsubishi Chemical Corporation

  公开号：US20180265461A1

  公开（公告）日：2018-09-20

  According to the present invention, there is provided a method for producing carboxylic acid thioester, comprising reacting a compound represented by the following formula (I), carboxylic acid and thiol in the presence of a catalyst including at least one Group 2 metal compound. The production method is a production method which is simple in reaction operation, which places a small load on the environment and the human body and which enables carboxylic acid thioester to be catalytically obtained at a high yield even at a normal temperature and a normal pressure (25° C., 1 atm). In the formula (I), R 1 and R 2 each independently represent a hydrocarbon group having 1 to 20 carbon atoms.

  根据本发明，提供了一种生产羧酸硫酯的方法，包括在至少包括一种第2族金属化合物的催化剂存在下，将下式（I）所代表的化合物、羧酸和硫醇反应。该生产方法是一种在反应操作上简单、对环境和人体负荷小的生产方法，即使在常温和常压（25°C，1大气压）下也能以高产率催化获得羧酸硫酯。在式（I）中，R1和R2各自独立地表示具有1至20个碳原子的碳氢基团。
• Acylation and Alkoxycarbony-lation of Benzoxazoline-2-thione and Benzothiazoline-2-thione
  作者：Takehiko Nishio、Kiyoko Shiwa

  DOI：10.3987/com-03-s(p)10

  日期：——

  Acylation of benzoxazoline-2-thione (1) and benzothiazoline-2-thione (2) with acetic anhydride (3) and acyl chlorides (4) gave N-acyl (5, 6) and/or S-acyl (7, 8) derivatives depending on the nature of acylating agents and bases used. Alkoxycarbonylation of 1 with aralkyl chlorocarbonates (9) gave N-alkoxycarbonyl derivatives (10) mainly, while that of 2 with aralkyl chloroccarbonates (9) gave S-alkoxycarbonyl derivatives (12) exclusively. Photolysis of N-acyl derivatives (5 or 6) in the presence of alcohols afforded 1 or 2, respectively, together with esters (16).