3-(4-benzo[1,3]dioxol-5-ylmethylpiperazin-1-yl)-1-(4-butoxyphenyl)-2-phenylpropan-1-one | 1521266-10-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 3-(4-benzo[1,3]dioxol-5-ylmethylpiperazin-1-yl)-1-(4-butoxyphenyl)-2-phenylpropan-1-one
• 英文别名: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-butoxyphenyl)-2-phenylpropan-1-one
• CAS: 1521266-10-3
• 化学式: C₃₁H₃₆N₂O₄
• 分子量: 500.638
• InChiKey: OFIAIYJPHSFHBN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.38
• 重原子数：
  37.0
• 可旋转键数：
  11.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  51.24
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  3-(4-benzo[1,3]dioxol-5-ylmethylpiperazin-1-yl)-1-(4-butoxyphenyl)-2-phenylpropan-1-one 在 盐酸 、 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 25.0h， 生成
  参考文献：
  名称：

  Synthesis of 1-(4-butoxyphenyl)-1-cyclohexyl-3-(4-arylpiperazin-1-yl)-2-phenylpropan-1-ols and their dihydrochlorides

  摘要：

  Aminomethylation of 1-(4-butoxyphenyl)-2-phenylethanone with paraformaldehyde and substituted piperazines in ethanol medium results in 1-(4-butoxyphenyl)-3-(4-R-piperazin-1-yl)-2-phenylpropan-1-ones. The latter react with cyclohexylmagnesium halide to give 1-(4-butoxyphenyl)-1-cyclohexyl-3-(4-arylpiperazin-1-yl)-2-phenylpropan-1-ols. Reduction of the prepared beta-aminoketones with lithium aluminum hydride in absolute diethyl ether leads to the secondary aminopropanols. The prepared compounds could be converted into the corresponding dihydrochlorides.

  DOI：

  10.1134/s1070363213110182
• 作为产物：
  描述：

  聚合甲醛 、 1-(4-butoxyphenyl)-2-phenylethanone 、 1-胡椒基哌嗪 以 乙醇 为溶剂， 以65%的产率得到3-(4-benzo[1,3]dioxol-5-ylmethylpiperazin-1-yl)-1-(4-butoxyphenyl)-2-phenylpropan-1-one
  参考文献：
  名称：

  Synthesis of 1-(4-butoxyphenyl)-1-cyclohexyl-3-(4-arylpiperazin-1-yl)-2-phenylpropan-1-ols and their dihydrochlorides

  摘要：

  Aminomethylation of 1-(4-butoxyphenyl)-2-phenylethanone with paraformaldehyde and substituted piperazines in ethanol medium results in 1-(4-butoxyphenyl)-3-(4-R-piperazin-1-yl)-2-phenylpropan-1-ones. The latter react with cyclohexylmagnesium halide to give 1-(4-butoxyphenyl)-1-cyclohexyl-3-(4-arylpiperazin-1-yl)-2-phenylpropan-1-ols. Reduction of the prepared beta-aminoketones with lithium aluminum hydride in absolute diethyl ether leads to the secondary aminopropanols. The prepared compounds could be converted into the corresponding dihydrochlorides.

  DOI：

  10.1134/s1070363213110182
• 作为试剂：
  描述：

  氯代环己烷 在 magnesium 、 3-(4-benzo[1,3]dioxol-5-ylmethylpiperazin-1-yl)-1-(4-butoxyphenyl)-2-phenylpropan-1-one 作用下， 以 乙醚 为溶剂， 反应 6.0h， 以88%的产率得到3-(4-benzo[1,3]dioxol-5-ylmethylpiperazin-1-yl)-1-(4-butoxyphenyl)-1-cyclohexyl-2-phenylpropan-1-ol
  参考文献：
  名称：

  Synthesis of 1-(4-butoxyphenyl)-1-cyclohexyl-3-(4-arylpiperazin-1-yl)-2-phenylpropan-1-ols and their dihydrochlorides

  摘要：

  Aminomethylation of 1-(4-butoxyphenyl)-2-phenylethanone with paraformaldehyde and substituted piperazines in ethanol medium results in 1-(4-butoxyphenyl)-3-(4-R-piperazin-1-yl)-2-phenylpropan-1-ones. The latter react with cyclohexylmagnesium halide to give 1-(4-butoxyphenyl)-1-cyclohexyl-3-(4-arylpiperazin-1-yl)-2-phenylpropan-1-ols. Reduction of the prepared beta-aminoketones with lithium aluminum hydride in absolute diethyl ether leads to the secondary aminopropanols. The prepared compounds could be converted into the corresponding dihydrochlorides.

  DOI：

  10.1134/s1070363213110182