1,6-Diamino-1,6-dideoxy-2,4:3,5-di-O-methylen-D-mannit | 7437-58-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二恶烷
• 英文名称: 1,6-Diamino-1,6-dideoxy-2,4:3,5-di-O-methylen-D-mannit
• 英文别名: [(4R,4aR,8R,8aR)-4-(aminomethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methanamine
• CAS: 7437-58-3
• 化学式: C₈H₁₆N₂O₄
• 分子量: 204.226
• InChiKey: MHPJHUHUHDOIBG-WCTZXXKLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  89
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  对硝基苯磺酰氯 、 1,6-Diamino-1,6-dideoxy-2,4:3,5-di-O-methylen-D-mannit 在 吡啶 作用下， 生成 O²,O⁴;O³,O⁵-dimethanediyl-1,6-bis-(4-nitro-benzenesulfonylamino)-1,6-dideoxy-mannitol
  参考文献：
  名称：

  Haworth et al., Journal of the Chemical Society, 1944, p. 155

  摘要：

  DOI：
• 作为产物：
  描述：

  4,8-di-(azidomethyl)-1,3,5,7-cis-tetraoxadecalin 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 反应 5.0h， 以98%的产率得到1,6-Diamino-1,6-dideoxy-2,4:3,5-di-O-methylen-D-mannit
  参考文献：
  名称：

  Substituent effects on the conformational equilibrium of 1,3,5,7-cis-tetraoxadecalin systems: Force field calculations Versus experimental results

  摘要：

  Conformer populations of a number of 1,3,5,7-cis-tetraoxadecalins have been studied by H-1 NMR spectroscopy. While the unsubstituted 4 prefers the proximal conformation, all 4,8 disubstituted derivatives 5 preferred the distal conformation. This was most marked for the di-azidomethyl derivative 5g. Force field calculations were shown to reproduce only roughly the trends of the conformer equilibria. Changing the solvent from toluene-D-8 to more polar solvents increases the population of the proximal conformer.

  DOI：

  10.1016/0957-4166(95)00366-w

文献信息

• Substituent effects on the conformational equilibrium of 1,3,5,7-cis-tetraoxadecalin systems: Force field calculations Versus experimental results
  作者：A.Gil Santos、Reinhard W. Hoffmann

  DOI：10.1016/0957-4166(95)00366-w

  日期：1995.11

  Conformer populations of a number of 1,3,5,7-cis-tetraoxadecalins have been studied by H-1 NMR spectroscopy. While the unsubstituted 4 prefers the proximal conformation, all 4,8 disubstituted derivatives 5 preferred the distal conformation. This was most marked for the di-azidomethyl derivative 5g. Force field calculations were shown to reproduce only roughly the trends of the conformer equilibria. Changing the solvent from toluene-D-8 to more polar solvents increases the population of the proximal conformer.
• Haworth et al., Journal of the Chemical Society, 1944, p. 155
  作者：Haworth et al.

  DOI：——

  日期：——