2-(Butyrylmethylene)-N-(cyclohept-1-enyl)-2,3-dihydro-1,3-benzothiazole | 135714-74-8

• 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: 2-(Butyrylmethylene)-N-(cyclohept-1-enyl)-2,3-dihydro-1,3-benzothiazole
• 英文别名: (1Z)-1-[3-(cyclohepten-1-yl)-1,3-benzothiazol-2-ylidene]pentan-2-one
• CAS: 135714-74-8
• 化学式: C₁₉H₂₃NOS
• 分子量: 313.464
• InChiKey: WLMYFEGGSPCSET-RGEXLXHISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  45.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  丁酸酐 、 1-Spiro[1,3-benzothiazole-2,1'-cycloheptane]-3-ylethanone 反应 2.5h， 以65%的产率得到2-(Butyrylmethylene)-N-(cyclohept-1-enyl)-2,3-dihydro-1,3-benzothiazole
  参考文献：
  名称：

  N-alkenyl acylketene S, N-acetals from 2,3-dihydro-1,3-benzothiazoles and carboxylic anhydrides. X-Ray molecular structure of 2-(butyrylmethylene)N-(cyclohex-1-enyl)-2,3-dihydro-1,3-benzothiazole

  摘要：

  Depending on the reaction conditions or starting materials used, 2,3-dihydro-1,3-benzothiazoles 1 or their N-acyl derivatives 2 react with carboxylic anhydrides to yield the corresponding enamides 3 and/or N-alkenyl acylketene S,N-acetals 4. The structural assignments of these last compounds are based on spectroscopic data. X-Ray evidence for title compound 4c is also reported. A possible reaction pathway for formation of products 4 is suggested.

  DOI：

  10.1039/p19910001505

文献信息

• N-alkenyl acylketene S, N-acetals from 2,3-dihydro-1,3-benzothiazoles and carboxylic anhydrides. X-Ray molecular structure of 2-(butyrylmethylene)N-(cyclohex-1-enyl)-2,3-dihydro-1,3-benzothiazole
  作者：Giuseppe Trapani、Andrea Latrofa、Antonia Reho、Massimo Franco、Gaetano Liso、Francesca Stasi

  DOI：10.1039/p19910001505

  日期：——

  Depending on the reaction conditions or starting materials used, 2,3-dihydro-1,3-benzothiazoles 1 or their N-acyl derivatives 2 react with carboxylic anhydrides to yield the corresponding enamides 3 and/or N-alkenyl acylketene S,N-acetals 4. The structural assignments of these last compounds are based on spectroscopic data. X-Ray evidence for title compound 4c is also reported. A possible reaction pathway for formation of products 4 is suggested.