3-(2-chloro-2-propenyl)-2,3-dihydro-2-iminobenzothiazole

• 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: 3-(2-chloro-2-propenyl)-2,3-dihydro-2-iminobenzothiazole
• 英文别名: 3-(2-Chloroprop-2-enyl)-1,3-benzothiazol-2-imine
• 化学式: C₁₀H₉ClN₂S
• 分子量: 224.714
• InChiKey: PNVQHRARCYWHMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  52.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(2-chloro-2-propenyl)-2,3-dihydro-2-iminobenzothiazole 在 硫酸 作用下， 反应 10.0h， 以20%的产率得到2-methylimidazo<2,1-b>benzothiazole
  参考文献：
  名称：

  Preparation of Fused Thiadiazolo- and Imidazobenzothiazoles from 2-Amino-benzothiazoles. Their Fungicidal Acitivity

  摘要：

  A regioselective [2+3] cyclocondensation between chlorocarbonylsulfenyl chloride (3) and 2-aminobenzothiazoles gave 3H-1,2,4-thiadiazolo[3,4-b]benzothiazol-3-ones (1). Some heterocycles (1) and their isosteric known 5-substituted 2-methylimidazo[2,1-b]benzothiazoles (2) which were prepared from 2-aminobenzothiazoles via two steps, showed significant fungicidal activities.

  DOI：

  10.3987/com-97-7839
• 作为产物：
  描述：

  2-氨基苯并噻唑 、 2,3-二氯丙烯 在 potassium carbonate 、 sodium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 以32%的产率得到3-(2-chloro-2-propenyl)-2,3-dihydro-2-iminobenzothiazole
  参考文献：
  名称：

  Preparation of Fused Thiadiazolo- and Imidazobenzothiazoles from 2-Amino-benzothiazoles. Their Fungicidal Acitivity

  摘要：

  A regioselective [2+3] cyclocondensation between chlorocarbonylsulfenyl chloride (3) and 2-aminobenzothiazoles gave 3H-1,2,4-thiadiazolo[3,4-b]benzothiazol-3-ones (1). Some heterocycles (1) and their isosteric known 5-substituted 2-methylimidazo[2,1-b]benzothiazoles (2) which were prepared from 2-aminobenzothiazoles via two steps, showed significant fungicidal activities.

  DOI：

  10.3987/com-97-7839

文献信息

• Preparation of Fused Thiadiazolo- and Imidazobenzothiazoles from 2-Amino-benzothiazoles. Their Fungicidal Acitivity
  作者：Yoo Tanabe、Akiyuki Kawai、Yoshihiro Yoshida、Masahiro Ogura、Hitomi Okumura

  DOI：10.3987/com-97-7839

  日期：——

  A regioselective [2+3] cyclocondensation between chlorocarbonylsulfenyl chloride (3) and 2-aminobenzothiazoles gave 3H-1,2,4-thiadiazolo[3,4-b]benzothiazol-3-ones (1). Some heterocycles (1) and their isosteric known 5-substituted 2-methylimidazo[2,1-b]benzothiazoles (2) which were prepared from 2-aminobenzothiazoles via two steps, showed significant fungicidal activities.