5-Methyl-2-<1-hydroxy-ethyl>-piperidin | 85279-28-3

• 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: 5-Methyl-2-<1-hydroxy-ethyl>-piperidin
• 英文别名: 1-(5-methyl-piperidin-2-yl)-ethanol；1-(5-Methylpiperidin-2-yl)ethanol
• CAS: 85279-28-3
• 化学式: C₈H₁₇NO
• mdl: MFCD19219338
• 分子量: 143.229
• InChiKey: HTMSWDIKJSKCDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  10
• 可旋转键数：
  1
• 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：

  5-Methyl-2-<1-hydroxy-ethyl>-piperidin 、 聚合甲醛 生成 (1R,6S,8aR)-1,6-dimethyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine
  参考文献：
  名称：

  CRABB, T. A.;HEYWOOD, G. C., ORG. MAGN. RESON., 1982, 20, N 4, 242-248

  摘要：

  DOI：
• 作为产物：
  描述：

  2-乙酰基-5-甲基吡啶 在 platinum(IV) oxide 氢气 作用下， 以 溶剂黄146 为溶剂， 生成 5-Methyl-2-<1-hydroxy-ethyl>-piperidin
  参考文献：
  名称：

  Compounds with bridgehead nitrogen: 45—the1H NMR spectra and stereochemistry of some dimethylperhydro-oxazolo[3,4-a]pyridines

  摘要：

  AbstractThe positions of conformational equilibria in 1,5‐, 1‐6‐ and 1,8‐dimethylperhydro‐oxazolo[3,4‐a]pyridines were determined by 1H NMR spectroscopy. The cis‐(H‐5, H‐8a)‐1,6‐dimethyl‐perhydro‐oxazolo[3,4‐a]pyridine. In contrast, r‐1,t‐6,t‐8a‐1,6‐dimethylperhydro‐oxazolo[3,4‐ a]pyridine preferred the cis‐fused conformation. Three of the 1,8‐dimethylperhydro‐oxazolo[3,4‐a]pyridines adopted the trans‐fused conformations (with distortion of the system in the case of the r‐1,c‐8,c‐8a derivative) and the r‐1,c‐8,t‐8a‐1,8‐dimethyl derivative adopted the cis‐fused conformation.

  DOI：

  10.1002/mrc.1270200411

文献信息

• Fused Triazole Tachykinin Receptor Antagonists
  申请人：DeVita Robert J.

  公开号：US20090221611A1

  公开（公告）日：2009-09-03

  The present invention is directed to certain fused triazole compounds which are useful as neurokinin-1 (NK-I) receptor antagonists, and inhibitors of tachykinin and in particular substance P- The invention is also concerned with pharmaceutical formulations comprising these compounds as active ingredients and the use of the compounds and their formulations in the treatment of certain disorders, including emesis, urinary incontinence, depression, and anxiety.

  本发明涉及某些融合的三唑化合物，它们可用作神经激肽-1（NK-I）受体拮抗剂和快速激肽，特别是物质P的抑制剂。本发明还涉及包含这些化合物作为活性成分的制药配方以及这些化合物及其配方在治疗某些疾病，包括呕吐、尿失禁、抑郁症和焦虑症方面的用途。
• [EN] FUSED TRIAZOLE TACHYKININ RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DES RÉCEPTEURS DES TACHYKININES À NOYAUX TRIAZOLES FUSIONNÉS
  申请人：MERCK & CO INC

  公开号：WO2007081897A2

  公开（公告）日：2007-07-19

  [EN] The present invention is directed to certain fused triazole compounds which are useful as neurokinin-1 (NK-I) receptor antagonists, and inhibitors of tachykinin and in particular substance P- The invention is also concerned with pharmaceutical formulations comprising these compounds as active ingredients and the use of the compounds and their formulations in the treatment of certain disorders, including emesis, urinary incontinence, depression, and anxiety.
  [FR] La présente invention concerne certains composés de triazoles fusionnés qui sont utiles comme antagonistes des récepteurs de la neurokinine 1 (NK-I), ainsi que comme inhibiteurs de la tachykinine et en particulier de la substance P. L'invention concerne également des formulations pharmaceutiques comprenant ces composés en tant que principes actifs, ainsi que l'utilisation des composés et de leurs formulations dans le traitement de certains troubles, comprenant les vomissements, l'incontinence urinaire, la dépression et l'anxiété.
• Compounds with bridgehead nitrogen: 45—the1H NMR spectra and stereochemistry of some dimethylperhydro-oxazolo[3,4-a]pyridines
  作者：Trevor A. Crabb、Geoffrey C. Heywood

  DOI：10.1002/mrc.1270200411

  日期：1982.12

  AbstractThe positions of conformational equilibria in 1,5‐, 1‐6‐ and 1,8‐dimethylperhydro‐oxazolo[3,4‐a]pyridines were determined by 1H NMR spectroscopy. The cis‐(H‐5, H‐8a)‐1,6‐dimethyl‐perhydro‐oxazolo[3,4‐a]pyridine. In contrast, r‐1,t‐6,t‐8a‐1,6‐dimethylperhydro‐oxazolo[3,4‐ a]pyridine preferred the cis‐fused conformation. Three of the 1,8‐dimethylperhydro‐oxazolo[3,4‐a]pyridines adopted the trans‐fused conformations (with distortion of the system in the case of the r‐1,c‐8,c‐8a derivative) and the r‐1,c‐8,t‐8a‐1,8‐dimethyl derivative adopted the cis‐fused conformation.
• CRABB, T. A.;HEYWOOD, G. C., ORG. MAGN. RESON., 1982, 20, N 4, 242-248
  作者：CRABB, T. A.、HEYWOOD, G. C.

  DOI：——

  日期：——