4-[(2-Hydroxy-ethyl)-methyl-amino]-1-phenyl-butan-1-one | 141809-35-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-[(2-Hydroxy-ethyl)-methyl-amino]-1-phenyl-butan-1-one
• 英文别名: 1-Butanone, 4-((2-hydroxyethyl)methylamino)-1-phenyl-；4-[2-hydroxyethyl(methyl)amino]-1-phenylbutan-1-one
• CAS: 141809-35-0
• 化学式: C₁₃H₁₉NO₂
• mdl: MFCD01656321
• 分子量: 221.299
• InChiKey: UTWWXUIOUMVPNU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-甲基-2-羟基乙胺 、 4-氯苯丁酮 以 乙醇 为溶剂， 以41%的产率得到4-[(2-Hydroxy-ethyl)-methyl-amino]-1-phenyl-butan-1-one
  参考文献：
  名称：

  Ionization constants, lipophilicity and biological studies of some novel aryl-(amino or hydroxy)ethyl amino ketones with anti-inflammatory activity

  摘要：

  The synthesized 4-(2'-hydroxy- or 2'-amino-ethyl)amino-butyrophenones or butyrothienones, a novel class of basic, anti-inflammatory compounds, are of interest, since they present major differences compared to the classical (steroidal, non steroidal or immunosuppressive) anti-inflammatory agents. Ionization constants and lipophilicity, expressed as log P, from the octanol/water system, or as R(M) values, from reversed phase thin layer chromatography, were determined and discussed in relation to their structural characteristics. An attempt was made to predict these 2 physicochemical parameters. It was found that both experimental expressions of lipophilicity for the tested basic compounds are in agreement, concerning the influence of functional groups, and that R(M) determination can be used as a fast, convenient and reliable method for the evaluation of the lipophilicity of similar structures. Acute toxicity and anti-inflammatory activity tests, using the adjuvant induced disease (AID) model, were conducted. It is concluded that the tested compounds possess protective, as well as curative properties in AID in rats.

  DOI：

  10.1016/0223-5234(92)90053-4

文献信息

• Ionization constants, lipophilicity and biological studies of some novel aryl-(amino or hydroxy)ethyl amino ketones with anti-inflammatory activity
  作者：D Hadjipavlou-Litina、E Rekka、L Hadjipetrou-Kourounakis、PN Kourounakis

  DOI：10.1016/0223-5234(92)90053-4

  日期：1992.1

  The synthesized 4-(2'-hydroxy- or 2'-amino-ethyl)amino-butyrophenones or butyrothienones, a novel class of basic, anti-inflammatory compounds, are of interest, since they present major differences compared to the classical (steroidal, non steroidal or immunosuppressive) anti-inflammatory agents. Ionization constants and lipophilicity, expressed as log P, from the octanol/water system, or as R(M) values, from reversed phase thin layer chromatography, were determined and discussed in relation to their structural characteristics. An attempt was made to predict these 2 physicochemical parameters. It was found that both experimental expressions of lipophilicity for the tested basic compounds are in agreement, concerning the influence of functional groups, and that R(M) determination can be used as a fast, convenient and reliable method for the evaluation of the lipophilicity of similar structures. Acute toxicity and anti-inflammatory activity tests, using the adjuvant induced disease (AID) model, were conducted. It is concluded that the tested compounds possess protective, as well as curative properties in AID in rats.