tert-butyl (6R,7R)-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-4-propoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | 144262-13-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: tert-butyl (6R,7R)-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-4-propoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• CAS: 144262-13-5
• 化学式: C₂₃H₃₀N₂O₆S
• 分子量: 462.567
• InChiKey: QIIDDFSYJUUSGI-IKQMYLSPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  32
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  120
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  tert-butyl (6R,7R)-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-4-propoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 在 间氯过氧苯甲酸 作用下， 生成 tert-butyl-3-methyl-7-phenoxyacetamido-3-cephem-4-carboxylate-1-oxide
  参考文献：
  名称：

  Studies on the Synthesis of C-2 Substituted Cephalosporin Sulfones: The Unexpected Reactivity of the C-2 Carbon

  摘要：

  An interesting route for the synthesis of C-2 substituted cephalosporin sulfones (8) has been described along with an unexpected reactivity on the C-2 carbon of C-2 substituted cephalosporin sulfoxides and sulfones.

  DOI：

  10.3987/com-92-6025
• 作为产物：
  描述：

  tert-butyl-3-methyl-7-phenoxyacetamido-2-cephem-4-carboxylate 在 溴 、 sodium carbonate 、 N,N-二甲基苯胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 96.08h， 生成 tert-butyl (6R,7R)-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-4-propoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  参考文献：
  名称：

  Studies on the Synthesis of C-2 Substituted Cephalosporin Sulfones: The Unexpected Reactivity of the C-2 Carbon

  摘要：

  An interesting route for the synthesis of C-2 substituted cephalosporin sulfones (8) has been described along with an unexpected reactivity on the C-2 carbon of C-2 substituted cephalosporin sulfoxides and sulfones.

  DOI：

  10.3987/com-92-6025

文献信息

• Studies on the Synthesis of C-2 Substituted Cephalosporin Sulfones: The Unexpected Reactivity of the C-2 Carbon
  作者：Maurizio Botta、Marcello Crucianelli、Raffaele Saladino、Rosario Nicoletti

  DOI：10.3987/com-92-6025

  日期：——

  An interesting route for the synthesis of C-2 substituted cephalosporin sulfones (8) has been described along with an unexpected reactivity on the C-2 carbon of C-2 substituted cephalosporin sulfoxides and sulfones.