ethyl (2Z)-3,4-dimethyl-2-methylimino-2,3-dihydro-1,3-thiazole-5-carboxylate | 849547-70-2

• 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 (2Z)-3,4-dimethyl-2-methylimino-2,3-dihydro-1,3-thiazole-5-carboxylate
• CAS: 849547-70-2
• 化学式: C₉H₁₄N₂O₂S
• 分子量: 214.288
• InChiKey: CNOXKGKSIVLQFK-KTKRTIGZSA-N

物化性质

• 沸点：
  299.5±50.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  43.59
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  ethyl (2Z)-3,4-dimethyl-2-methylimino-2,3-dihydro-1,3-thiazole-5-carboxylate 在 氨 、 sodium methylate 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and in vitro antibacterial activity of 3-[ N -methyl- N -(3-methyl-1,3-thiazolium-2-yl)amino]methyl cephalosporin derivatives

  摘要：

  The new cephalosporins having N-linked quarternary ammonium salt at C-3 position were prepared from the reaction of 2-methylimino-3-methyl-1,3-thiazoline derivatives with cephalosporins. Also antimicrobial activities of those compounds were determined. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00130-x
• 作为产物：
  描述：

  N,N'-二甲基硫脲 、 2-氯乙酰乙酸乙酯 生成 ethyl (2Z)-3,4-dimethyl-2-methylimino-2,3-dihydro-1,3-thiazole-5-carboxylate
  参考文献：
  名称：

  Synthesis and in vitro antibacterial activity of 3-[ N -methyl- N -(3-methyl-1,3-thiazolium-2-yl)amino]methyl cephalosporin derivatives

  摘要：

  The new cephalosporins having N-linked quarternary ammonium salt at C-3 position were prepared from the reaction of 2-methylimino-3-methyl-1,3-thiazoline derivatives with cephalosporins. Also antimicrobial activities of those compounds were determined. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00130-x

文献信息

• EP1669352
  申请人：——

  公开号：——

  公开（公告）日：——
• Synthesis and in vitro antibacterial activity of 3-[ N -methyl- N -(3-methyl-1,3-thiazolium-2-yl)amino]methyl cephalosporin derivatives
  作者：Sung Hoon Kim、Hyenju Son、Ghilsoo Nam、Dae Yoon Chi、Joong Hyup Kim

  DOI：10.1016/s0960-894x(00)00130-x

  日期：2000.6

  The new cephalosporins having N-linked quarternary ammonium salt at C-3 position were prepared from the reaction of 2-methylimino-3-methyl-1,3-thiazoline derivatives with cephalosporins. Also antimicrobial activities of those compounds were determined. (C) 2000 Elsevier Science Ltd. All rights reserved.