ethyl 3-[(4-chlorophenyl)methyl]-2,3-dihydro-4-methyl-2-thioxothiazol-5-carboxylate | 1225211-17-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl 3-[(4-chlorophenyl)methyl]-2,3-dihydro-4-methyl-2-thioxothiazol-5-carboxylate
• 英文别名: ethyl 3-[(4-chlorophenyl)methyl]-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
• CAS: 1225211-17-5
• 化学式: C₁₄H₁₄ClNO₂S₂
• 分子量: 327.856
• InChiKey: QROROHDOGHLHRB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  86.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  二硫化碳 、 对氯苄胺 、 2-氯乙酰乙酸乙酯 以 水 为溶剂， 以85%的产率得到ethyl 3-[(4-chlorophenyl)methyl]-2,3-dihydro-4-methyl-2-thioxothiazol-5-carboxylate
  参考文献：
  名称：

  A one-pot synthesis of N-alkylthiazoline-2-thiones from CS2, primary amines, and 2-chloro-1,3-dicarbonyl compounds in water

  摘要：

  A simple synthesis of N-alkylthiazoline-2-thiones by reaction of primary amines, carbon disulfide, and 2-chloro-1,3-dicarbonyl compounds in water is described. Proceeding without catalyst under one-pot conditions in high yields and with broad scope, this method high synthetic utility.

  DOI：

  10.1007/s00706-009-0227-2

文献信息

• A one-pot synthesis of N-alkylthiazoline-2-thiones from CS2, primary amines, and 2-chloro-1,3-dicarbonyl compounds in water
  作者：Issa Yavari、Mehdi Sirouspour、Sanaz Souri

  DOI：10.1007/s00706-009-0227-2

  日期：2010.1

  A simple synthesis of N-alkylthiazoline-2-thiones by reaction of primary amines, carbon disulfide, and 2-chloro-1,3-dicarbonyl compounds in water is described. Proceeding without catalyst under one-pot conditions in high yields and with broad scope, this method high synthetic utility.