tetramethyl 3,3',3'',3'''-(((((4-formyl-3-hydroxypyridine-2,5-diyl)bis(methylene))bis(sulfanediyl))bis(ethane-2,1-diyl))bis(azanetriyl))tetrapropionate | 1194454-41-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: tetramethyl 3,3',3'',3'''-(((((4-formyl-3-hydroxypyridine-2,5-diyl)bis(methylene))bis(sulfanediyl))bis(ethane-2,1-diyl))bis(azanetriyl))tetrapropionate
• CAS: 1194454-41-5
• 化学式: C₂₈H₄₃N₃O₁₀S₂
• 分子量: 645.796
• InChiKey: CGCMOXSFEDQJOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.92
• 重原子数：
  43.0
• 可旋转键数：
  23.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  161.87
• 氢给体数：
  1.0
• 氢受体数：
  15.0

反应信息

• 作为反应物：
  描述：

  tetramethyl 3,3',3'',3'''-(((((4-formyl-3-hydroxypyridine-2,5-diyl)bis(methylene))bis(sulfanediyl))bis(ethane-2,1-diyl))bis(azanetriyl))tetrapropionate 、 2,2-二苯基甘氨酸 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Dendrimers in solution can have their remote catalytic groups folded back into the core: Enantioselective transaminations by dendritic enzyme mimics-II

  摘要：

  PAMAM dendrimers with double thioether arms have been synthesized with a pyridoxamine core and terminal chiral amino groups. Transamination to afford natural isomers of phenylalanine and alanine induced enantioselectivity by the peripheral chiral caps, supporting a computer model that indicates folding of dendrimer chains back into the core. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.061
• 作为产物：
  描述：

  在 manganese(IV) oxide 作用下， 以 二氯甲烷 为溶剂， 生成 tetramethyl 3,3',3'',3'''-(((((4-formyl-3-hydroxypyridine-2,5-diyl)bis(methylene))bis(sulfanediyl))bis(ethane-2,1-diyl))bis(azanetriyl))tetrapropionate
  参考文献：
  名称：

  Dendrimers in solution can have their remote catalytic groups folded back into the core: Enantioselective transaminations by dendritic enzyme mimics-II

  摘要：

  PAMAM dendrimers with double thioether arms have been synthesized with a pyridoxamine core and terminal chiral amino groups. Transamination to afford natural isomers of phenylalanine and alanine induced enantioselectivity by the peripheral chiral caps, supporting a computer model that indicates folding of dendrimer chains back into the core. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.061