methyl 2-(4-bromobenzamido)acrylate

• 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: methyl 2-(4-bromobenzamido)acrylate
• 英文别名: Methyl 2-[(4-bromobenzoyl)amino]prop-2-enoate；methyl 2-[(4-bromobenzoyl)amino]prop-2-enoate
• 化学式: C₁₁H₁₀BrNO₃
• 分子量: 284.109
• InChiKey: BBXUSWIAFJABKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (S)-3-Benzyloxycarbonylamino-2-(4-bromo-benzoylamino)-propionic acid methyl ester 在 氢溴酸 、 potassium hydrogencarbonate 、 溶剂黄146 、 碘甲烷 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成 methyl 2-(4-bromobenzamido)acrylate
  参考文献：
  名称：

  Flat Peptides

  摘要：

  We have synthesized by solution methods the first homopeptide series, pBrBz-(Delta Ala)(n)-OMe (n = 1-6), based on a C-alpha,C-beta-didehydro-alpha-amino acid, to determine the preferred conformation of this residue, characterized by an sp(2) or-carbon atom and the smallest side chain. To this aim, we have exploited FTIR absorption and H-1 NMR techniques in solution and X-ray diffraction in the crystal state. Our investigation shows that a multiple, consecutive, fully extended conformation (2.0(5)-helix) largely predominates for all oligomers in deuteriochloroform solution and occurs in the crystal state for the monomer, dimer, and trimer as well. These peptide molecules are completely flat, including the amino acid side chains, and form planar sheets. This novel peptide structure is stabilized by two types of intramolecular H-bonds, N-i-H ... O-i=C'(i) (typical of the 2.0(5)-helix) and C-i+1(beta)-H ... O-i=C'(i) (characteristic of Delta Ala peptides). The results obtained are compared with those of the oligopeptides based on the related C-beta-substituted, C-alpha,C-beta-didehydro-alpha-amino acid residues.

  DOI：

  10.1021/ja9842114

文献信息

• Iron-catalysed 1,2-acyl migration of tertiary α-azido ketones and 2-azido-1,3-dicarbonyl compounds
  作者：Tonghao Yang、Yajun Lin、Chaoqun Yang、Wei Yu

  DOI：10.1039/c9gc02085c

  日期：——

  Iron-catalysed 1,2-acyl migration of tertiary α-azido ketones and 2-azido-1,3-dicarbonyl compounds provides a simple and atom-economical approach toward enamides and isoquinolones. This paper reports two catalyst systems for these transformations which employ iron(II) complexes [Fe(dpbz)]Br2 (dpbz = 1,2-bis(diphenylphosphino)benzene) and FeBr2/Et3N, respectively. [Fe(dpbz)]Br2 was found to be highly

  铁催化的α-叠氮基酮和2-叠氮基-1,3-二羰基化合物的1,2-酰基迁移为酰胺和异喹啉酮提供了一种简单且原子经济的方法。本文报道两种催化剂体系用于这些转化其采用铁（II）配合物的[Fe（dpbz）]溴2（dpbz = 1,2-双（二苯基膦基）苯）和FeBr 2 / ET 3 N，分别。发现[Fe（dpbz）] Br 2在将2-叠氮基-2,3-二氢-1 H-茚满-1-酮转化为异喹诺酮方面非常有效。另一方面，由于Et 3的有益作用，FeBr 2 / Et 3 N的试剂组合具有更宽的催化范围N.后一种催化剂体系可使2-叠氮基-2-甲基-1,3-二羰基化合物在温和条件下以良好的收率转化为相应的酰胺。
• NOVEL COMPOUND AND METHOD FOR PREVENTING OR TREATING OF RESPIRATORY DISEASES COMPRISING THE SAME AS AN ACTIVE INGREDIENT
  申请人：YONSEI UNIVERSITY, UNIVERSITY - INDUSTRY FOUNDATION (UIF)

  公开号：US20220193041A1

  公开（公告）日：2022-06-23

  The present invention relates to a novel compound, and a composition for preventing or treating of respiratory disease comprising the novel compound, E- or Z-isomer thereof, optical isomer thereof, a mixture of two isomers thereof, precursor thereof, pharmaceutically acceptable salt thereof or solvate thereof as an active ingredient.