4,8-diaza-3,3,6,9,9-pentamethyl-undeca-2,10-dione

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4,8-diaza-3,3,6,9,9-pentamethyl-undeca-2,10-dione
• 英文别名: 3-Methyl-3-[[2-methyl-3-[(2-methyl-3-oxobutan-2-yl)amino]propyl]amino]butan-2-one
• 化学式: C₁₄H₂₈N₂O₂
• 分子量: 256.389
• InChiKey: MRQVNNLCXUBZIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4,8-diaza-3,3,6,9,9-pentamethyl-undeca-2,10-dione 在 盐酸羟胺 作用下， 以 甲醇 为溶剂， 反应 18.0h， 以85%的产率得到4,8-diaza-3,3,6,9,9-pentamethyl-undeca-2,10-dione dioxime
  参考文献：
  名称：

  An efficient synthesis of some 6-substituted 4,8-diaza-3,3,9,9- tetramethylundeca-2,10-dione dioximes (propylene amine oximes, PnAOs): Ligands for 99mTc complexes used in structure distribution relationship (SDR) studies

  摘要：

  Technetium complexes of the ligand PnAO [4,8-diaza-3,3,9,9-fetramethylundeca-2,10-dione dioximes (3)] are of interest as commercial radiopharmaceuticals. In general, PnAOs are synthesized by alkylation of a propylenediamine derivative with 3-chloro-3-methyl-2-nitrosobutane (2). This alkylation reaction proved to be low yielding. With modestly bulky substituents at the 2-position of 1,3-diaminopropane, little or none of the required PnAO was obtained. As a result, an alternative approach of the synthesis of PnAO was developed. This method involved the alkylation of the propylenediamine with 3-bromo-3-methylbutan-2-one (18) followed by oximation of the resulting diamine-diketone (19). By this method, PnAOs were prepared in goad yield, even with bulky C-2 substituents. Fourteen PnAO derivatives were prepared by this method. We also describe the syntheses of several new propylenediamine derivatives.

  DOI：

  10.1016/s0040-4020(01)85336-9
• 作为产物：
  描述：

  2-甲基-1,3-丙二胺 、 3-溴-3-甲基-2-丁酮 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 以86%的产率得到4,8-diaza-3,3,6,9,9-pentamethyl-undeca-2,10-dione
  参考文献：
  名称：

  An efficient synthesis of some 6-substituted 4,8-diaza-3,3,9,9- tetramethylundeca-2,10-dione dioximes (propylene amine oximes, PnAOs): Ligands for 99mTc complexes used in structure distribution relationship (SDR) studies

  摘要：

  Technetium complexes of the ligand PnAO [4,8-diaza-3,3,9,9-fetramethylundeca-2,10-dione dioximes (3)] are of interest as commercial radiopharmaceuticals. In general, PnAOs are synthesized by alkylation of a propylenediamine derivative with 3-chloro-3-methyl-2-nitrosobutane (2). This alkylation reaction proved to be low yielding. With modestly bulky substituents at the 2-position of 1,3-diaminopropane, little or none of the required PnAO was obtained. As a result, an alternative approach of the synthesis of PnAO was developed. This method involved the alkylation of the propylenediamine with 3-bromo-3-methylbutan-2-one (18) followed by oximation of the resulting diamine-diketone (19). By this method, PnAOs were prepared in goad yield, even with bulky C-2 substituents. Fourteen PnAO derivatives were prepared by this method. We also describe the syntheses of several new propylenediamine derivatives.

  DOI：

  10.1016/s0040-4020(01)85336-9

文献信息

• Rhenium and technetium complexes containing a hypoxia-localizing moiety
  申请人：——

  公开号：US20020054853A1

  公开（公告）日：2002-05-09

  Novel methods, processes and metal complexes attached to a hypoxia-localizing moiety comprising a metal, preferably radionuclide of rhenium or technetium; a hypoxia-localizing moiety; and, a complexing ligand, wherein said ligand and said radionuclide combined have cell membrane permeabilities greater than that of sucrose, are disclosed.

  本发明公开了一种新的方法、过程和金属配合物，其附着于一种缺氧定位基团上，该基团包含一种金属，优选为锝或铼的放射性同位素；一种缺氧定位基团；和一种络合配体，其中所述配体和所述放射性同位素的组合具有细胞膜渗透性大于蔗糖的特性。
• RHENIUM AND TECHNETIUM COMPLEXES CONTAINING A HYPOXIA-LOCALIZING MOIETY
  申请人：——

  公开号：US20040010127A1

  公开（公告）日：2004-01-15

  Novel methods, processes and metal complexes attached to a hypoxia-localizing moiety comprising a metal, preferably radionuclide of rhenium or technetium; a hypoxia-localizing moiety; and, a complexing ligand, wherein said ligand and said radionuclide combined have cell membrane permeabilities greater than that of sucrose, are disclosed.

  本发明涉及一种新的方法、工艺和金属配合物，所述金属配合物附着于含有金属的低氧定位基团上，优选为锝或铼的放射性核素；所述低氧定位基团；以及络合配体，其中所述配体和所述放射性核素的结合具有细胞膜渗透性大于蔗糖。
• US5688487A
  申请人：——

  公开号：US5688487A

  公开（公告）日：1997-11-18
• US5808091A
  申请人：——

  公开号：US5808091A

  公开（公告）日：1998-09-15
• US6184361B1
  申请人：——

  公开号：US6184361B1

  公开（公告）日：2001-02-06