(S)-2-{[2-(4-Chloro-phenyl)-5-methyl-3H-imidazole-4-carbonyl]-amino}-3-phenyl-propionic acid methyl ester | 618904-97-5

• 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: (S)-2-{[2-(4-Chloro-phenyl)-5-methyl-3H-imidazole-4-carbonyl]-amino}-3-phenyl-propionic acid methyl ester
• CAS: 618904-97-5
• 化学式: C₂₁H₂₀ClN₃O₃
• 分子量: 397.861
• InChiKey: BBGFDEYBGOKHMF-KRWDZBQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.55
• 重原子数：
  28.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  84.08
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (S)-2-{[2-(4-Chloro-phenyl)-5-methyl-3H-imidazole-4-carbonyl]-amino}-3-phenyl-propionic acid methyl ester 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 2-(4-Chloro-phenyl)-5-methyl-3H-imidazole-4-carboxylic acid ((S)-1-hydroxymethyl-2-phenyl-ethyl)-amide
  参考文献：
  名称：

  Novel Synthetic Approach to 6,7-Dihydro-5H-imidazo[1,5-a]-pyrazin-8-ones

  摘要：

  [GRAPHICS]A novel route to highly substituted chiral 6,7-dihydro-5H-imidazo[1,5-a]pyrazine-8-ones starting from Meldrum's acid is disclosed. The key features of the methodology are the incorporation of amino esters as a chiral pool and facile mild intramolecular cyclization to form the pyrazine ring. Incorporation of various substituents at different stages of the synthesis from various building block sets makes this methodology readily amenable to parallel synthesis.

  DOI：

  10.1021/ol035455i
• 作为产物：
  描述：

  2-(3-oxo-butyrylamino)-3-phenylpropionic acid methyl ester 在 三乙胺 、 sodium nitrite 作用下， 以 水 、 溶剂黄146 、 乙腈 为溶剂， 反应 0.25h， 生成 (S)-2-{[2-(4-Chloro-phenyl)-5-methyl-3H-imidazole-4-carbonyl]-amino}-3-phenyl-propionic acid methyl ester
  参考文献：
  名称：

  Novel Synthetic Approach to 6,7-Dihydro-5H-imidazo[1,5-a]-pyrazin-8-ones

  摘要：

  [GRAPHICS]A novel route to highly substituted chiral 6,7-dihydro-5H-imidazo[1,5-a]pyrazine-8-ones starting from Meldrum's acid is disclosed. The key features of the methodology are the incorporation of amino esters as a chiral pool and facile mild intramolecular cyclization to form the pyrazine ring. Incorporation of various substituents at different stages of the synthesis from various building block sets makes this methodology readily amenable to parallel synthesis.

  DOI：

  10.1021/ol035455i