4-phenyl-2-thiophen-2-yl-but-3-ynoic acid tert-butylamide | 1206892-50-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 4-phenyl-2-thiophen-2-yl-but-3-ynoic acid tert-butylamide
• 英文别名: N-tert-butyl-4-phenyl-2-thiophen-2-ylbut-3-ynamide
• CAS: 1206892-50-3
• 化学式: C₁₈H₁₉NOS
• 分子量: 297.421
• InChiKey: FMDUBNIHPLNGIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  57.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-tert-butyl-2-(5-oxo-3-phenyl-2,5-dihydro-isoxazol-4-yl)-2-thiophen-2-yl-acetamide 在 iron(II) sulfate 、 溶剂黄146 、 sodium nitrite 作用下， 以 水 为溶剂， 以92%的产率得到4-phenyl-2-thiophen-2-yl-but-3-ynoic acid tert-butylamide
  参考文献：
  名称：

  Unusual Approach to Branched 3-Alkynylamides and to 1,5-Dihydropyrrol-2-ones

  摘要：

  Rare carboxamide branched alkynes such as 11a can be readily obtained by reaction of the electrophilic 4-alkylidene isoxazolinones with isocycanides followed by nitrosative cleavage of the heterocyclic ring. N-lodosuccinimide induced ring closure in the presence of a nucleophile results in the formation of new iodopyrrolinones such as 16c.

  DOI：

  10.1021/ol902472r

文献信息

• Unusual Approach to Branched 3-Alkynylamides and to 1,5-Dihydropyrrol-2-ones
  作者：Igor Dias-Jurberg、Fabien Gagosz、Samir Z. Zard

  DOI：10.1021/ol902472r

  日期：2010.2.5

  Rare carboxamide branched alkynes such as 11a can be readily obtained by reaction of the electrophilic 4-alkylidene isoxazolinones with isocycanides followed by nitrosative cleavage of the heterocyclic ring. N-lodosuccinimide induced ring closure in the presence of a nucleophile results in the formation of new iodopyrrolinones such as 16c.