6-(2,4-Dibromo-butyrylamino)-nicotinic acid methyl ester | 247901-02-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 6-(2,4-Dibromo-butyrylamino)-nicotinic acid methyl ester
• 英文别名: Methyl 6-(2,4-dibromobutanoylamino)pyridine-3-carboxylate；methyl 6-(2,4-dibromobutanoylamino)pyridine-3-carboxylate
• CAS: 247901-02-6
• 化学式: C₁₁H₁₂Br₂N₂O₃
• 分子量: 380.036
• InChiKey: PFOBLDJEMFIMMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  68.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-(2,4-Dibromo-butyrylamino)-nicotinic acid methyl ester 在 sodium hydroxide 、 chiral bisoxazoline 、 zinc trifluoromethanesulfonate 作用下， 以 二氯甲烷 为溶剂， 反应 0.17h， 生成 6-((S)-3-Allyl-2-oxo-pyrrolidin-1-yl)-nicotinic acid methyl ester
  参考文献：
  名称：

  Enantioselective reactions of radicals at the α position of γ-lactams

  摘要：

  gamma-lactams derived from 2-aminopyridines undergo free radical reactions with allyltrimethylsilane in the presence of Lewis acids and chiral bisoxazolines. Products have been obtained with enantiomeric excesses as high as 99%. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)01370-2
• 作为产物：
  描述：

  6-氨基烟酸甲酯 、 2,4-二溴丁酰溴 生成 6-(2,4-Dibromo-butyrylamino)-nicotinic acid methyl ester
  参考文献：
  名称：

  Enantioselective reactions of radicals at the α position of γ-lactams

  摘要：

  gamma-lactams derived from 2-aminopyridines undergo free radical reactions with allyltrimethylsilane in the presence of Lewis acids and chiral bisoxazolines. Products have been obtained with enantiomeric excesses as high as 99%. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)01370-2

文献信息

• Enantioselective reactions of radicals at the α position of γ-lactams
  作者：Ned A. Porter、Hao Feng、Ivanka K. Kavrakova

  DOI：10.1016/s0040-4039(99)01370-2

  日期：1999.9

  gamma-lactams derived from 2-aminopyridines undergo free radical reactions with allyltrimethylsilane in the presence of Lewis acids and chiral bisoxazolines. Products have been obtained with enantiomeric excesses as high as 99%. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.