2-(1-ethoxyvinyl)-1,3-benzothiazole | 768402-68-2

• 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-(1-ethoxyvinyl)-1,3-benzothiazole
• 英文别名: 2-(1-Ethoxyvinyl)-1,3-benzothiazole；2-(1-ethoxyethenyl)-1,3-benzothiazole
• CAS: 768402-68-2
• 化学式: C₁₁H₁₁NOS
• 分子量: 205.28
• InChiKey: GLPRGXUKWILUJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  50.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(1-ethoxyvinyl)-1,3-benzothiazole 在 盐酸 、 水 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.05h， 生成 2-乙酰苯并噻唑
  参考文献：
  名称：

  Reactions of Heterocumulenes with Organometallic Reagents: VIII. Reactions of Carbanions Derived from Alkoxy- and Alkylsulfanylethenes with Isothiocyanates-A Convenient Route to 2-Propenethioamides, 1-Methylsulfanyl-2-propen-1-imines, and Benzothiazoles

  摘要：

  Metalated alkoxy- and alkylsulfanylethenes readily add to isothiocyanates; the subsequent hydrolysis or alkylation of the adducts leads to formation of 2-propenethioamides or 1-methylsulfanyl-2- propen-1-imines (as mixtures of syn and anti isomers) in 74-100% yield. The reaction of metalated alkoxyethenes with 2-fluorophenyl isothiocyanate opens the way to new benzothiazole derivatives. Hydrolysis of the latter provides a simple method for the preparation of 2-benzothiazolyl ketones.

  DOI：

  10.1023/b:rujo.0000034907.84291.94
• 作为产物：
  描述：

  异硫氰酸(2-氟苯)酯 在 六甲基磷酰三胺 、 正丁基锂 、 potassium tert-butylate 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 1.75h， 生成 2-(1-ethoxyvinyl)-1,3-benzothiazole
  参考文献：
  名称：

  Reactions of Heterocumulenes with Organometallic Reagents: VIII. Reactions of Carbanions Derived from Alkoxy- and Alkylsulfanylethenes with Isothiocyanates-A Convenient Route to 2-Propenethioamides, 1-Methylsulfanyl-2-propen-1-imines, and Benzothiazoles

  摘要：

  Metalated alkoxy- and alkylsulfanylethenes readily add to isothiocyanates; the subsequent hydrolysis or alkylation of the adducts leads to formation of 2-propenethioamides or 1-methylsulfanyl-2- propen-1-imines (as mixtures of syn and anti isomers) in 74-100% yield. The reaction of metalated alkoxyethenes with 2-fluorophenyl isothiocyanate opens the way to new benzothiazole derivatives. Hydrolysis of the latter provides a simple method for the preparation of 2-benzothiazolyl ketones.

  DOI：

  10.1023/b:rujo.0000034907.84291.94

文献信息

• Reactions of Heterocumulenes with Organometallic Reagents: VIII. Reactions of Carbanions Derived from Alkoxy- and Alkylsulfanylethenes with Isothiocyanates-A Convenient Route to 2-Propenethioamides, 1-Methylsulfanyl-2-propen-1-imines, and Benzothiazoles
  作者：N. A. Nedolya、N. I. Shlyakhtina、G. I. Sarapulova、L. Brandsma

  DOI：10.1023/b:rujo.0000034907.84291.94

  日期：2004.1

  Metalated alkoxy- and alkylsulfanylethenes readily add to isothiocyanates; the subsequent hydrolysis or alkylation of the adducts leads to formation of 2-propenethioamides or 1-methylsulfanyl-2- propen-1-imines (as mixtures of syn and anti isomers) in 74-100% yield. The reaction of metalated alkoxyethenes with 2-fluorophenyl isothiocyanate opens the way to new benzothiazole derivatives. Hydrolysis of the latter provides a simple method for the preparation of 2-benzothiazolyl ketones.