N,N'-Bis-(4-acetamidobutyl)-N,N'-bis-(p-toluolsulfonyl)-1,3-diaminopropan | 62371-94-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N,N'-Bis-(4-acetamidobutyl)-N,N'-bis-(p-toluolsulfonyl)-1,3-diaminopropan
• CAS: 62371-94-2
• 化学式: C₂₉H₄₄N₄O₆S₂
• 分子量: 608.824
• InChiKey: OJKJIGFLQPTJHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.21
• 重原子数：
  41.0
• 可旋转键数：
  18.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  132.96
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  N,N'-Bis-(4-acetamidobutyl)-N,N'-bis-(p-toluolsulfonyl)-1,3-diaminopropan 、 sodium acetate 生成 N,N'-Bis(4-acetamidobutyl)-1,3-diacetamidopropan
  参考文献：
  名称：

  异构体和同源亚精胺和亚精胺衍生物的合成及其质谱鉴定（作者译）。

  摘要：

  Synthesis of isomeric and homologous spermidine and spermine derivatives and their identification by mass spectrometry.The structure of homologous and isomeric spermidines and spermines follows from mass‐spectroscopical analysis of their peracetyl (see text, footnote 3) (Table 1) or tosyl‐acetyl (Table 2) derivatives. In the case of the peracetyl compounds, triads of peaks are recorded which, according to the number of methylene groups between the nitrogen atoms, show mass numbers characteristic for each of the substances (Scheme 1, ions b, d, e and c).On the basis of cyclic ions of type f (Scheme 2), occurring in the mass spectra of N‐acetyl derivatives, tosylated on a secondary amino nitrogen atom, deductions can be drawn as to the number of methylene groups between neighbouring tosylated and acetylated nitrogen atoms in these compounds.

  DOI：

  10.1002/hlca.19770600114
• 作为产物：
  描述：

  1-acetylamino-4-(toluene-4-sulfonylamino)-butane 、 N-{4-[(3-Bromo-propyl)-(toluene-4-sulfonyl)-amino]-butyl}-acetamide 生成 N,N'-Bis-(4-acetamidobutyl)-N,N'-bis-(p-toluolsulfonyl)-1,3-diaminopropan
  参考文献：
  名称：

  异构体和同源亚精胺和亚精胺衍生物的合成及其质谱鉴定（作者译）。

  摘要：

  Synthesis of isomeric and homologous spermidine and spermine derivatives and their identification by mass spectrometry.The structure of homologous and isomeric spermidines and spermines follows from mass‐spectroscopical analysis of their peracetyl (see text, footnote 3) (Table 1) or tosyl‐acetyl (Table 2) derivatives. In the case of the peracetyl compounds, triads of peaks are recorded which, according to the number of methylene groups between the nitrogen atoms, show mass numbers characteristic for each of the substances (Scheme 1, ions b, d, e and c).On the basis of cyclic ions of type f (Scheme 2), occurring in the mass spectra of N‐acetyl derivatives, tosylated on a secondary amino nitrogen atom, deductions can be drawn as to the number of methylene groups between neighbouring tosylated and acetylated nitrogen atoms in these compounds.

  DOI：

  10.1002/hlca.19770600114