2-(6-methyl-piperidin-2-yl)-ethanol | 10222-77-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 2-(6-methyl-piperidin-2-yl)-ethanol
• 英文别名: 2-(6-Methyl-[2]piperidyl)-aethanol；2-(β-Hydroxyaethyl)-6-methyl-piperidin；2-(β-Hydroxyethyl)-6-methyl-piperidin；2-(6-Methylpiperidin-2-yl)ethanol
• CAS: 10222-77-2
• 化学式: C₈H₁₇NO
• mdl: MFCD06637464
• 分子量: 143.229
• InChiKey: RLVLWHOXXDDCNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  乙醛 、 2-(6-methyl-piperidin-2-yl)-ethanol 以 苯 为溶剂， 生成 1,8-dimethyl-hexahydro-pyrido[1,2-c][1,3]oxazine
  参考文献：
  名称：

  具有桥头氮原子的化合物的质子磁共振研究—VI：八氢吡啶并[1,2-c] 1,3-恶嗪衍生物的构象和构象研究

  摘要：

  一些取代的八氢吡啶并[1,2-c] 1,3-恶嗪的构型和优选构象是根据NMR光谱和IR光谱的2700-2850 cm -1区域推导的。（±）sedridin和（±）sedamin的构型已得到确认。已经说明了偶极相互作用在确定该系统的优选构象中的重要性。

  DOI：

  10.1016/s0040-4020(01)96281-7
• 作为产物：
  描述：

  6-甲基吡啶-2-乙酸乙酯 在 platinum(IV) oxide 氢气 、 溶剂黄146 作用下， 20.0 ℃ 、310.26 kPa 条件下， 反应 12.0h， 生成 2-(6-methyl-piperidin-2-yl)-ethanol
  参考文献：
  名称：

  Syntheses and structure–activity relationship studies of piperidine-substituted quinolones as nonpeptide gonadotropin releasing hormone antagonists

  摘要：

  Syntheses and structure-activity relationships of piperidine-substituted quinolones as nonpeptide gonadotropin releasing hormone antagonists are described. Some of substituents on the piperidine ring that were investigated included a fused phenyl group, a (6R)-trifluoromethyl group, (6S) and (6R)-methyl group. This study showed that GnRH binding potency was tolerated by a small group at the 6-position of the piperidine, and blocking the 6-position by a trifluoromethyl group reduced clearance rate and increased oral bioavailability. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.12.101

文献信息

• Syntheses and structure–activity relationship studies of piperidine-substituted quinolones as nonpeptide gonadotropin releasing hormone antagonists
  作者：Jinlong Jiang、Robert J. DeVita、Mark T. Goulet、Matthew J. Wyvratt、Jane-L. Lo、Ning Ren、Joel B. Yudkovitz、Jisong Cui、Yi T. Yang、Kang Cheng、Susan P. Rohrer

  DOI：10.1016/j.bmcl.2003.12.101

  日期：2004.4

  Syntheses and structure-activity relationships of piperidine-substituted quinolones as nonpeptide gonadotropin releasing hormone antagonists are described. Some of substituents on the piperidine ring that were investigated included a fused phenyl group, a (6R)-trifluoromethyl group, (6S) and (6R)-methyl group. This study showed that GnRH binding potency was tolerated by a small group at the 6-position of the piperidine, and blocking the 6-position by a trifluoromethyl group reduced clearance rate and increased oral bioavailability. (C) 2004 Elsevier Ltd. All rights reserved.
• Proton magnetic resonance studies of compounds with bridgehead nitrogen atoms—VI
  作者：T.A. Crabb、R.F. Newton

  DOI：10.1016/s0040-4020(01)96281-7

  日期：1968.1

  The configurations and preferred conformations of some substituted octahydropyrido[1,2-c]1,3-oxazines have been deduced on the basis of NMR spectra and the 2700–2850 cm−1 region of the IR spectra. The configurations of (±) sedridin and (±) sedamin have been confirmed. The importance of dipole interactions in determining the preferred conformations of this system have been illustrated.

  一些取代的八氢吡啶并[1,2-c] 1,3-恶嗪的构型和优选构象是根据NMR光谱和IR光谱的2700-2850 cm -1区域推导的。（±）sedridin和（±）sedamin的构型已得到确认。已经说明了偶极相互作用在确定该系统的优选构象中的重要性。