N,N-Bis-(3-acetamidopropyl)-p-toluolsulfonamid | 62371-89-5

• 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-(3-acetamidopropyl)-p-toluolsulfonamid
• CAS: 62371-89-5
• 化学式: C₁₇H₂₇N₃O₄S
• 分子量: 369.485
• InChiKey: AQOKLZPQAKQWGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.04
• 重原子数：
  25.0
• 可旋转键数：
  10.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  95.58
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N,N-Bis-(3-acetamidopropyl)-p-toluolsulfonamid 、 sodium acetate 生成 N,N-Bis(3-acetamidopropyl)-acetamid
  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：

  N-(3-溴丙基)苯二胺 、 N-{3-[(4-toluenesulfonyl)amino]propyl}acetamide 、 乙酸酐 生成 N,N-Bis-(3-acetamidopropyl)-p-toluolsulfonamid
  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

文献信息

• Massenspektrometrische Identifizierung und Synthese isomerer und homologer Spermidin- und Spermin-Derivate. 25. Mitteilung über das massenspektrometrische Verhalten von Stickstoffverbindungen. 161. Mitteilung über Alkaloide
  作者：Armin Guggisberg、Robert W. Gray、Manfred Hesse

  DOI：10.1002/hlca.19770600114

  日期：1977.1.26

  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.