1-(1-aminocyclohexyl)-3,4-dimethyl-3,4-dihydroxy-1-pentyne | 95477-07-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-(1-aminocyclohexyl)-3,4-dimethyl-3,4-dihydroxy-1-pentyne
• 英文别名: 2,3-dimethyl-5-(1-aminocyclohexyl)-4-pentyne-2,3-diol；2,3-dimethyl-5(1-aminocyclohexane)hept-4-yne-2,3-diol；5-(1-Aminocyclohexyl)-2,3-dimethylpent-4-yne-2,3-diol
• CAS: 95477-07-9
• 化学式: C₁₃H₂₃NO₂
• 分子量: 225.331
• InChiKey: GTDXTUYCGXPLDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  66.5
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 1-(1-aminocyclohexyl)-3,4-dimethyl-3,4-dihydroxy-1-pentyne 在 吡啶 作用下， 以 乙醚 为溶剂， 反应 1.0h， 以88%的产率得到1-(1-acetylaminocyclohexyl)-3,4-dimethyl-3,4-dihydroxy-1-pentyne
  参考文献：
  名称：

  Electron-excessive systems: Study of the character of spectral phenomena of weak magnetic fields and conformations of acetylenic amidoglycols

  摘要：

  The synthesis was carried out of model acetylenic amidoglycols. Conclusions were made from an analysis of the PMR spectra on the possibility of transfer of magnetic fields through an electron-excessive acetylenic bond and on conformation of amidoglycols. The low value of the observed nonequivalency of the germinal methyl groups, separated from the asymmetric center by an acetylenic bond, in the PMR spectra is explained by characteristic features of the electronic structure and conformational rigidity of the acetylenic bond.

  DOI：

  10.1007/bf00863585

文献信息

• Electron-excessive systems: Study of the character of spectral phenomena of weak magnetic fields and conformations of acetylenic amidoglycols
  作者：M. D. Isobaev、�. F. Venger、M. Z. Zaripova、E. M. Glazunova

  DOI：10.1007/bf00863585

  日期：1992.9

  The synthesis was carried out of model acetylenic amidoglycols. Conclusions were made from an analysis of the PMR spectra on the possibility of transfer of magnetic fields through an electron-excessive acetylenic bond and on conformation of amidoglycols. The low value of the observed nonequivalency of the germinal methyl groups, separated from the asymmetric center by an acetylenic bond, in the PMR spectra is explained by characteristic features of the electronic structure and conformational rigidity of the acetylenic bond.