N-(4-methoxy-2-nitrophenyl)-6-oxothiomorpholine-3-carboxamide | 1144108-42-8

• 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: N-(4-methoxy-2-nitrophenyl)-6-oxothiomorpholine-3-carboxamide
• CAS: 1144108-42-8
• 化学式: C₁₂H₁₃N₃O₅S
• 分子量: 311.318
• InChiKey: RGHLQDVXPKCBBY-UHFFFAOYSA-N

物化性质

• 沸点：
  630.8±55.0 °C(predicted)
• 密度：
  1.462±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  139
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  巯基乙醛 、 4-methoxy-2-nitrophenyl isocyanide 、 聚甘氨酸 以 2,2,2-三氟乙醇 为溶剂， 生成 N-(4-methoxy-2-nitrophenyl)-6-oxothiomorpholine-3-carboxamide
  参考文献：
  名称：

  A Novel Δ-Thiolactone Scaffold by a Versatile Intramolecular Multicomponent Reaction

  摘要：

  The three component reaction of alpha-aminoacids, mercaptoacetaldehyde and an isocyanide smoothly and stereoselectively yields the novel scaffold 1,2-disubstituted N-alkyl(aryl)-6-oxo thiomorpholine-3-carboxamide. In this communication we present our preliminary results on six compounds derived from this unprecedented reaction.

  DOI：

  10.3987/com-08-s(f)101

文献信息

• MALONYL-COA ACETYLTRANSFERASE INHIBITORS AGAINST ANTIBIOTIC RESISTANT BACTERTIA
  申请人：Doemling Alexander

  公开号：US20100022520A1

  公开（公告）日：2010-01-28

  Compounds characterized by thiolactone or thiomorpholino cores display useful antibiotic and radioprotective properties. The latter properties are believed to arise from an ability of the compounds to inhibit proteins involved in apoptosis.

  具有巯内酯或巯基吗啡环核心的化合物具有有用的抗生素和辐射保护性能。后者的性质被认为是由于化合物能够抑制参与凋亡的蛋白质的能力。
• A Novel Δ-Thiolactone Scaffold by a Versatile Intramolecular Multicomponent Reaction
  作者：Alexander Dömling、Stuti Srivastava、Barbara Beck、Eberhardt Herdtweck、Kareem Khoury

  DOI：10.3987/com-08-s(f)101

  日期：——

  The three component reaction of alpha-aminoacids, mercaptoacetaldehyde and an isocyanide smoothly and stereoselectively yields the novel scaffold 1,2-disubstituted N-alkyl(aryl)-6-oxo thiomorpholine-3-carboxamide. In this communication we present our preliminary results on six compounds derived from this unprecedented reaction.