1-(3,4-dibenzyloxyphenyl)-2-nitroethylmethylcyclohexyl ether | 174318-92-4

• 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: 1-(3,4-dibenzyloxyphenyl)-2-nitroethylmethylcyclohexyl ether
• 英文别名: 4-[1-(Cyclohexylmethoxy)-2-nitroethyl]-1,2-bis(phenylmethoxy)benzene
• CAS: 174318-92-4
• 化学式: C₂₉H₃₃NO₅
• 分子量: 475.585
• InChiKey: GQAYAAPFEPWOKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  35
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  73.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(3,4-dibenzyloxyphenyl)-2-nitroethylmethylcyclohexyl ether 在 platinum on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 反应 20.0h， 以32%的产率得到2-cyclohexylmethyloxy-2-(3,4-dibenzyloxyphenyl)ethylamine
  参考文献：
  名称：

  β-Alkoxy-substituted phenethylamines: a family of compounds potentially active at the dopamine and α-adrenergic receptors

  摘要：

  A series of beta-alkoxy-substituted phenethylamines were synthesized and tested for their affinity at the D-1 and D-2 dopaminergic receptors and the alpha(1) and alpha(2) adrenoceptors. None of the tested compounds exhibited D-2 receptor affinity. Among the nonhydroxylated compounds that were resolved to their antipodes, the (-)-enantiomers generally showed a moderate but distinct activity at the alpha(2) receptor. Ring hydroxylation appears to be a necessary requirement for D-1, activity. These results are discussed in terms of the structural elements of the tested drugs as compared to those of known active compounds.

  DOI：

  10.1016/0223-5234(96)88314-0
• 作为产物：
  描述：

  3,4-二苄氧基-反-β-硝基苯乙烯 、 cyclohexanemethanol sodium salt 以 various solvent(s) 为溶剂， 以89%的产率得到1-(3,4-dibenzyloxyphenyl)-2-nitroethylmethylcyclohexyl ether
  参考文献：
  名称：

  β-Alkoxy-substituted phenethylamines: a family of compounds potentially active at the dopamine and α-adrenergic receptors

  摘要：

  A series of beta-alkoxy-substituted phenethylamines were synthesized and tested for their affinity at the D-1 and D-2 dopaminergic receptors and the alpha(1) and alpha(2) adrenoceptors. None of the tested compounds exhibited D-2 receptor affinity. Among the nonhydroxylated compounds that were resolved to their antipodes, the (-)-enantiomers generally showed a moderate but distinct activity at the alpha(2) receptor. Ring hydroxylation appears to be a necessary requirement for D-1, activity. These results are discussed in terms of the structural elements of the tested drugs as compared to those of known active compounds.

  DOI：

  10.1016/0223-5234(96)88314-0

文献信息

• β-Alkoxy-substituted phenethylamines: a family of compounds potentially active at the dopamine and α-adrenergic receptors
  作者：H.E. Katerinopoulos、N Tagmatarchis、G Zaponakis、N Kefalakis、K Kordatos、M Spyrakis、K Thermos

  DOI：10.1016/0223-5234(96)88314-0

  日期：1995.1

  A series of beta-alkoxy-substituted phenethylamines were synthesized and tested for their affinity at the D-1 and D-2 dopaminergic receptors and the alpha(1) and alpha(2) adrenoceptors. None of the tested compounds exhibited D-2 receptor affinity. Among the nonhydroxylated compounds that were resolved to their antipodes, the (-)-enantiomers generally showed a moderate but distinct activity at the alpha(2) receptor. Ring hydroxylation appears to be a necessary requirement for D-1, activity. These results are discussed in terms of the structural elements of the tested drugs as compared to those of known active compounds.