N-[(1,1,3,3-tetramethylbutylcarbamoyl)thiophen-2-ylmethyl]isobutyramide | 1061709-61-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-[(1,1,3,3-tetramethylbutylcarbamoyl)thiophen-2-ylmethyl]isobutyramide
• CAS: 1061709-61-2
• 化学式: C₁₈H₃₀N₂O₂S
• 分子量: 338.514
• InChiKey: AOFNSMUBPAXXNZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.89
• 重原子数：
  23.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  58.2
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N-[(1,1,3,3-tetramethylbutylcarbamoyl)thiophen-2-ylmethyl]isobutyramide 在 劳森试剂 作用下， 以 间二甲苯 为溶剂， 反应 1.0h， 以38%的产率得到(2-isopropyl-4-thiophen-2-ylthiazol-5-yl)-(1,1,3,3-tetramethylbutyl)amine
  参考文献：
  名称：

  Versatile assembly of 5-aminothiazoles based on the Ugi four-component coupling

  摘要：

  A flexible route to novel 5-aminothiazoles has been developed based on cyclisation of diamide adducts, prepared using the Ugi reaction, in the presence of Lawesson's reagent. The Walborsky reagent ( 1,1,3,3-tetramethylbutyl isocyanide) was used as the isonitrile component, facilitating subsequent deprotection of the N-alkyl group to yield free 5-aminothiazoles, which were prepared with a variety of substituents at the 2- and 4-positions. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.06.067
• 作为产物：
  描述：

  在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 N-[(1,1,3,3-tetramethylbutylcarbamoyl)thiophen-2-ylmethyl]isobutyramide
  参考文献：
  名称：

  Versatile assembly of 5-aminothiazoles based on the Ugi four-component coupling

  摘要：

  A flexible route to novel 5-aminothiazoles has been developed based on cyclisation of diamide adducts, prepared using the Ugi reaction, in the presence of Lawesson's reagent. The Walborsky reagent ( 1,1,3,3-tetramethylbutyl isocyanide) was used as the isonitrile component, facilitating subsequent deprotection of the N-alkyl group to yield free 5-aminothiazoles, which were prepared with a variety of substituents at the 2- and 4-positions. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.06.067