4-methoxyphenyl-(1-methyl-piperidin-4-yl)-amine | 41292-86-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-methoxyphenyl-(1-methyl-piperidin-4-yl)-amine
• 英文别名: N-(4-methoxyphenyl)-1-methylpiperidin-4-amine；N-(1-methyl-4-piperidinyl)-4-anisidine；(4-methoxy-phenyl)-(1-methyl-piperidin-4-yl)-amine；N-(1-methyl-[4]piperidyl)-p-anisidine；N-(1-Methyl-[4]piperidyl)-p-anisidin
• CAS: 41292-86-8
• 化学式: C₁₃H₂₀N₂O
• mdl: MFCD11147307
• 分子量: 220.315
• InChiKey: CVULKUAYKNCHNZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.538
• 拓扑面积：
  24.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-methoxyphenyl-(1-methyl-piperidin-4-yl)-amine 在 sodium hydroxide 、 sodium tetrahydroborate 、 三氯化硼 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 反应 3.0h， 生成 5-Methoxy-1-(1-methylpiperidin-4-yl)indole
  参考文献：
  名称：

  Sasakura, Kazuyuki; Adachi, Makoto; Sugasawa, Tsutomu, Synthetic Communications, 1988, vol. 18, # 3, p. 265 - 274

  摘要：

  DOI：
• 作为产物：
  描述：

  C₁₃H₁₈N₂O 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 以65%的产率得到4-methoxyphenyl-(1-methyl-piperidin-4-yl)-amine
  参考文献：
  名称：

  Synthesis and investigations of double-pharmacophore ligands for treatment of chronic and neuropathic pain

  摘要：

  Acids 9a-f as possible bivalent ligands designed as a structural combination of opioid mu-agonist (Fentanyl) and NSAID ( Indomethacin) activities and produced compounds which were tested as analgesics. The obtained series of compounds exhibits low affinity and activity both at opioid receptors and as cyclooxygenase ( COX) inhibitors. One explanation of the weak opioid activity could be stereochemical peculiarities of these bivalent compounds which differ significantly from the fentanyl skeleton. The absence of significant COX inhibitory properties could be explained by the required substitution of an acyl fragment in the indomethacin structure for 4-piperidyl. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmc.2009.05.065

文献信息

• Hydrogen-Borrowing Amination of Secondary Alcohols Promoted by a (Cyclopentadienone)iron Complex
  作者：Xishan Bai、Francesco Aiolfi、Mattia Cettolin、Umberto Piarulli、Alberto Dal Corso、Luca Pignataro、Cesare Gennari

  DOI：10.1055/s-0039-1690101

  日期：2019.9

  (HB) amination has been expanded to secondary alcohols, which had previously been reported to react only in the presence of large amounts of co-catalysts. A range of cyclic and acyclic secondary alcohols were reacted with aromatic and aliphatic amines giving fair to excellent yields of the substitution products. The catalyst was also able to promote the cyclization of diols bearing a secondary alcohol

  抽象的 得益于高活性催化剂，（环戊二烯酮）铁络合物促进的“氢借”（HB）胺化反应的范围已扩大到仲醇，据报道以前仅在存在大量钴的情况下才发生反应。 -催化剂。使一系列环状和无环仲醇与芳族和脂族胺反应，使取代产物的收率达到相当高的水平。该催化剂还能够促进带有仲醇基的二醇与伯胺的环化反应，生成饱和的N-杂环。 得益于高活性催化剂，（环戊二烯酮）铁络合物促进的“氢借”（HB）胺化反应的范围已扩大到仲醇，据报道以前仅在存在大量钴的情况下才发生反应。 -催化剂。使一系列环状和无环仲醇与芳族和脂族胺反应，使取代产物的收率达到相当高的水平。该催化剂还能够促进带有仲醇基的二醇与伯胺的环化反应，生成饱和的N-杂环。
• Sasakura, Kazuyuki; Terui, Yoshihiro; Sugasawa, Tsutomu, Chemical and pharmaceutical bulletin, 1985, vol. 33, # 5, p. 1836 - 1842
  作者：Sasakura, Kazuyuki、Terui, Yoshihiro、Sugasawa, Tsutomu

  DOI：——

  日期：——
• Adachi, Makoto; Sasakura, Kazuyuki; Sugasawa, Tsutomu, Chemical and pharmaceutical bulletin, 1985, vol. 33, # 5, p. 1826 - 1835
  作者：Adachi, Makoto、Sasakura, Kazuyuki、Sugasawa, Tsutomu

  DOI：——

  日期：——
• US2683714
  申请人：——

  公开号：——

  公开（公告）日：——
• DE903213
  申请人：——

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