2-(Diethoxymethyl)-1,3-thiazole-4-carbothioamide | 952723-33-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(Diethoxymethyl)-1,3-thiazole-4-carbothioamide
• CAS: 952723-33-0
• 化学式: C₉H₁₄N₂O₂S₂
• 分子量: 246.354
• InChiKey: IZTDLFQNOFNYJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  118
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(Diethoxymethyl)-1,3-thiazole-4-carbothioamide 、 3-溴丙酮酸乙酯 以 乙醇 为溶剂， 反应 1.0h， 以100%的产率得到
  参考文献：
  名称：

  Synthesis of saramycetic acid

  摘要：

  The first reported synthesis of saramycetic acid, a degradation product of the complex thiopeptide antibiotic cyclothiazomycin, is achieved in nine steps and 11% overall yield from diethoxyacetonitrile by a strategy, which incorporates two Hantzsch thiazole syntheses using thioamides prepared from the corresponding nitriles without the use of gaseous H2S. The synthetic material was transformed to methyl saramycetate, which had spectroscopic Properties in excellent agreement with the literature data. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.07.111
• 作为产物：
  描述：

  在 ammonium sulfide 作用下， 以 甲醇 为溶剂， 反应 18.0h， 以100%的产率得到2-(Diethoxymethyl)-1,3-thiazole-4-carbothioamide
  参考文献：
  名称：

  Synthesis of saramycetic acid

  摘要：

  The first reported synthesis of saramycetic acid, a degradation product of the complex thiopeptide antibiotic cyclothiazomycin, is achieved in nine steps and 11% overall yield from diethoxyacetonitrile by a strategy, which incorporates two Hantzsch thiazole syntheses using thioamides prepared from the corresponding nitriles without the use of gaseous H2S. The synthetic material was transformed to methyl saramycetate, which had spectroscopic Properties in excellent agreement with the literature data. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.07.111