N-methylcarbamate of 3,5-diethyl-2-(α-furyl)benzyl alcohol | 61518-03-4

• 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-methylcarbamate of 3,5-diethyl-2-(α-furyl)benzyl alcohol
• 英文别名: [3,5-diethyl-2-(furan-2-yl)phenyl]methyl N-methylcarbamate
• CAS: 61518-03-4
• 化学式: C₁₇H₂₁NO₃
• 分子量: 287.359
• InChiKey: DXOWUIZFKDQCJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  51.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3,5-diethyl-2-(α-furyl)benzaldehyde 在 三甲胺 钾硼氢 作用下， 以 甲醇 、 乙醚 为溶剂， 生成 N-methylcarbamate of 3,5-diethyl-2-(α-furyl)benzyl alcohol
  参考文献：
  名称：

  Conformational study of anticholinesterase carbamates in the furylbenzene series by1H and13C NMR spectroscopy

  摘要：

  AbstractThe structural analysis of carbamates derived from 2‐(α‐furyl)benzaldoximes and 2‐(α‐furyl)benzyl alcohols was carried out by 1H and 13C NMR spectroscopy. The conjugative and steric effects of alkyl substituents introduced on the benzene rings were found to modify the relative orientation of the aromatic and furan rings. The existence of a close relationship between the stereochemistry of the studied compounds and their anticholinesterase activity has been proposed.

  DOI：

  10.1002/mrc.1270180104

文献信息

• Conformational study of anticholinesterase carbamates in the furylbenzene series by1H and13C NMR spectroscopy
  作者：N. Platzer、N. Ronzani、C. Lang、C. Lange

  DOI：10.1002/mrc.1270180104

  日期：1982.1

  AbstractThe structural analysis of carbamates derived from 2‐(α‐furyl)benzaldoximes and 2‐(α‐furyl)benzyl alcohols was carried out by 1H and 13C NMR spectroscopy. The conjugative and steric effects of alkyl substituents introduced on the benzene rings were found to modify the relative orientation of the aromatic and furan rings. The existence of a close relationship between the stereochemistry of the studied compounds and their anticholinesterase activity has been proposed.