1-甲基-4-(2-硝基苯基)哌啶-4-醇 | 92926-55-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 1-甲基-4-(2-硝基苯基)哌啶-4-醇
• 英文名称: 1-methyl-4-(2-nitrophenyl)-4-piperidinol
• 英文别名: 1-methyl-4-(2-nitrophenyl)-4-hydroxypiperidine；1-Methyl-4-(2-nitrophenyl)piperidin-4-ol
• CAS: 92926-55-1
• 化学式: C₁₂H₁₆N₂O₃
• 分子量: 236.271
• InChiKey: ZQSBMOMQUUGFBI-UHFFFAOYSA-N

物化性质

• 沸点：
  402.2±45.0 °C(Predicted)
• 密度：
  1.250±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  69.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-甲基-4-(2-硝基苯基)哌啶-4-醇 生成 4-(2-aminophenyl)-1-methylpiperidin-4-ol
  参考文献：
  名称：

  BERNARDI, L.;LAZZARI, E.;MAINATI, M. L.;MAZZINI, G.;PEGRASSI, L.;ROSSI, A+

  摘要：

  DOI：
• 作为产物：
  描述：

  N-甲基-4-哌啶酮 、 1-溴-2-硝基苯 在 正丁基锂 作用下， 生成 1-甲基-4-(2-硝基苯基)哌啶-4-醇
  参考文献：
  名称：

  Design and synthesis of 18F-labeled neurotoxic analogs of MPTP

  摘要：

  We report on the synthesis of two fluorine-18 labeled analogs of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP). A piperidyl triazene was fluorinated to produce [F-18]-1-methyl-4-(2-fluorophenyl)-1,2,3,6-tetrahydropyridine (2'-F-MPTP, 12) in very low yield, and 1-methyl-4-[2-(fluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine (2'-FCH2-MPTP, 11) was labeled with F-18 by nucleophilic displacement of the corresponding chloride in 60% yield. The biodistribution in mice of the latter radiotracer and its oxidation to 1-methyl-4-[2-(fluoromethyl)phenyl]pyridinium (2'-FCH2-MPP+, 6) is also reported. The kinetics of oxidation of 2'-FCH2-MPTP and its solvolysis products (the corresponding 2'-hydroxymethyl and 2'-chloromethyl analogs) by rat liver monoamine oxidase were investigated. 2'-FCH2-MPTP accumulated to a useful degree in the brain, was oxidized by monoamine oxidase in vitro, was converted to the oxidation product in brain in vivo, and had a neurotoxic potency similar to that of MPTP. We feel it may be useful as an F-18-labeled radiopharmaceutical for positron tomographic studies of the mechanisms of MPTP toxicity.

  DOI：

  10.1021/jm00061a021

文献信息

• Antipsycotic benzoxazines
  申请人：Farmitalia Carlo Erba S.p.A.

  公开号：US04558049A1

  公开（公告）日：1985-12-10

  There are provided compounds of formula 1: ##STR1## wherein R=halogen atom or CN, NH.sub.2 and NO.sub.2 group, and pharmaceutically acceptable salts thereof. The compounds are antipsycotic agents.

  提供了公式1的化合物：##STR1## 其中R=卤原子或CN、NH.sub.2和NO.sub.2基团，以及其药学上可接受的盐。这些化合物是抗精神病药物。
• US4558049A
  申请人：——

  公开号：US4558049A

  公开（公告）日：1985-12-10