2,2'-sulfonylbis<3-(dimethylamino)-(E,E)-N-<2-(tetrahydropyranyloxy)ethyl>propenamide> | 143022-97-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: 2,2'-sulfonylbis<3-(dimethylamino)-(E,E)-N-<2-(tetrahydropyranyloxy)ethyl>propenamide>
• 英文别名: (E)-3-(dimethylamino)-2-[(E)-1-(dimethylamino)-3-[2-(oxan-2-yloxy)ethylamino]-3-oxoprop-1-en-2-yl]sulfonyl-N-[2-(oxan-2-yloxy)ethyl]prop-2-enamide
• CAS: 143022-97-3
• 化学式: C₂₄H₄₂N₄O₈S
• 分子量: 546.685
• InChiKey: QMAVCABVMSKFQK-XPWSMXQVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  37
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  144
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  2,2'-sulfonylbis<3-(dimethylamino)-(E,E)-N-<2-(tetrahydropyranyloxy)ethyl>propenamide> 在 pyridine-SO3 complex 、 3 A molecular sieve 、 4-甲基苯磺酸吡啶 、 三乙胺 作用下， 以 乙醇 、 二甲基亚砜 、 乙腈 为溶剂， 反应 59.0h， 生成 (E)-3-Benzylamino-2-((E)-2-benzylamino-1-{2-[(E)-benzylimino]-ethylcarbamoyl}-ethenesulfonyl)-N-{2-[(Z)-benzylimino]-ethyl}-acrylamide
  参考文献：
  名称：

  Reagents for bioorganic synthesis. 5. The synthesis of two potential cross-linking reagents: 2,2'-sulfonylbis[3-(benzylamino)-(E,E)-N-(2-oxoethyl)propenamide] (SBBOP) and 2,2'-sulfonylbis[3-(benzylamino)-(E,E)-N-(2-chloroethyl)propenamide] (SBBCP)

  摘要：

  The syntheses of the title bifunctional organic reagents 3 and 4, containing reactive bis(aldehyde) and bis(alkyl halide) functionalities, respectively, are reported. The reagents have potential applications for biomacromolecular cross-linking, in particular for cross-linking hemoglobin subunits.

  DOI：

  10.1021/jo00048a019
• 作为产物：
  描述：

  2,2'-sulfonylbis 在 4-甲基苯磺酸吡啶 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 59.0h， 生成 2,2'-sulfonylbis<3-(dimethylamino)-(E,E)-N-<2-(tetrahydropyranyloxy)ethyl>propenamide>
  参考文献：
  名称：

  Reagents for bioorganic synthesis. 5. The synthesis of two potential cross-linking reagents: 2,2'-sulfonylbis[3-(benzylamino)-(E,E)-N-(2-oxoethyl)propenamide] (SBBOP) and 2,2'-sulfonylbis[3-(benzylamino)-(E,E)-N-(2-chloroethyl)propenamide] (SBBCP)

  摘要：

  The syntheses of the title bifunctional organic reagents 3 and 4, containing reactive bis(aldehyde) and bis(alkyl halide) functionalities, respectively, are reported. The reagents have potential applications for biomacromolecular cross-linking, in particular for cross-linking hemoglobin subunits.

  DOI：

  10.1021/jo00048a019

文献信息

• The synthesis of a potential cross-linking reagent: 2,2'-sulfonylbis[3-benzylamino-E,E)-N-(2-oxoethyl) propenamide]
  作者：Craig M. Bertha、Ramachandra S Hosmane

  DOI：10.1016/s0040-4039(00)92653-4

  日期：1992.6

  The synthesis of the title bis-aldehydic reagent (3) with potential applications in biomacromolecular cross-linking is reported.
• Reagents for bioorganic synthesis. 5. The synthesis of two potential cross-linking reagents: 2,2'-sulfonylbis[3-(benzylamino)-(E,E)-N-(2-oxoethyl)propenamide] (SBBOP) and 2,2'-sulfonylbis[3-(benzylamino)-(E,E)-N-(2-chloroethyl)propenamide] (SBBCP)
  作者：Craig M. Bertha、Ramachandra S. Hosmane、Hongming Zhang、Narayan S. Hosmane

  DOI：10.1021/jo00048a019

  日期：1992.10

  The syntheses of the title bifunctional organic reagents 3 and 4, containing reactive bis(aldehyde) and bis(alkyl halide) functionalities, respectively, are reported. The reagents have potential applications for biomacromolecular cross-linking, in particular for cross-linking hemoglobin subunits.