tert-butyl ((1-(prop-2-yn-1-yl)-6-tosyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-3-yl)methyl)carbamate | 1582272-20-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tert-butyl ((1-(prop-2-yn-1-yl)-6-tosyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-3-yl)methyl)carbamate
• 英文别名: tert-butyl N-[[6-(4-methylphenyl)sulfonyl-1-prop-2-ynyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-3-yl]methyl]carbamate
• CAS: 1582272-20-5
• 化学式: C₂₃H₂₉N₃O₄S
• 分子量: 443.567
• InChiKey: XHKDYIZVJBXZRG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  89
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  tert-butyl 2-((ethoxycarbonothioyl)thio)-3-(4-oxo-1-tosylpiperidin-3-yl)azetidine-1-carboxylate 、 炔丙胺 在 对甲苯磺酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.5h， 以50 mg的产率得到tert-butyl ((1-(prop-2-yn-1-yl)-6-tosyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-3-yl)methyl)carbamate
  参考文献：
  名称：

  Modular Approach to Substituted Boc-Protected 4-(Aminomethyl)pyrroles

  摘要：

  The radical addition of various alpha-xanthyl ketones to Boc-protected azetine gives adducts which, when treated with ammonia or primary amines, furnish 2,4-disubstituted, 2,3,4-trisubstituted, and polycyclic pyrroles having a protected aminomethyl group at position 4. An unusual ring-opening was observed in the case of a cyclobutanone precursor.

  DOI：

  10.1021/ol500544u

文献信息

• Modular Approach to Substituted Boc-Protected 4-(Aminomethyl)pyrroles
  作者：Songzhe Han、Samir Z. Zard

  DOI：10.1021/ol500544u

  日期：2014.4.4

  The radical addition of various alpha-xanthyl ketones to Boc-protected azetine gives adducts which, when treated with ammonia or primary amines, furnish 2,4-disubstituted, 2,3,4-trisubstituted, and polycyclic pyrroles having a protected aminomethyl group at position 4. An unusual ring-opening was observed in the case of a cyclobutanone precursor.