Dimethyl-(cis-2-hydroxy-cyclohexylmethyl)-amin | 205124-90-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Dimethyl-(cis-2-hydroxy-cyclohexylmethyl)-amin
• 英文别名: (1R,2R)-2-[(dimethylamino)methyl]cyclohexan-1-ol
• CAS: 205124-90-9
• 化学式: C₉H₁₉NO
• 分子量: 157.256
• InChiKey: LBKGSNPSDIYPBE-RKDXNWHRSA-N

物化性质

• 沸点：
  225.7±13.0 °C(Predicted)
• 密度：
  0.954±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 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：
  23.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (+/-)-cis-1-(Dimethylamino-methyl)-cyclohexanol-(2) 在 甲醇 、 lipase PS from Pseudomonas cepacia 作用下， 以 乙醚 为溶剂， 反应 162.0h， 生成 Dimethyl-(cis-2-hydroxy-cyclohexylmethyl)-amin
  参考文献：
  名称：

  Lipase-catalysed resolution of 2-dialkylaminomethylcyclohexanols

  摘要：

  The lipase PS-and Novozym 435-catalysed resolutions of 2-dialkylaminomethylcyclohexanols (A-F) with various vinyl esters were studied in different organic media. High enantioselectivity (E>200) was observed when vinyl acetate was used as an acylating agent and diethyl ether as a solvent. The (1R,2R) enantiomers react preferentially in the case of the cis isomers, whereas the (1R,2S) enantiomers do so in the case of the trans counterparts, Reaction rates were markedly affected by the solvent and by the quantity of the enzyme. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(98)00019-6

文献信息

• BRADLEROVA, ALENA;PRONAYOVA, NADEZDA;MISIKOVA, EVA;DURINDA, JAN, COLLECT. CZECHOSL. CHEM. COMMUN., 55,(1990) N, C. 1854-1865
  作者：BRADLEROVA, ALENA、PRONAYOVA, NADEZDA、MISIKOVA, EVA、DURINDA, JAN

  DOI：——

  日期：——
• Phenyl substituted cycloalkylamines as monoamine reuptake inhibitors
  申请人：Sunovion Pharmaceuticals Inc.

  公开号：EP2617704B1

  公开（公告）日：2017-06-28
• [EN] TAPENTADOL COMPOSITIONS<br/>[FR] COMPOSITIONS DE TAPENTADOL
  申请人：NECTID INC

  公开号：WO2009067703A2

  公开（公告）日：2009-05-28

  The present invention provides a method of treating pain and pain related conditions by administering to a patient in need thereof, a therapeutically effective amount of a slow release Tapentadol Hydrochloride and therapeutically effective amount of a second analgesic, wherein the second analgesic is tramadol, gamma- aminobutyric acid (GABA) analogue or an NSAID. The present invention further provides a pharmaceutical composition comprising a therapeutically effective amount of a slow release Tapentadol Hydrochloride and a therapeutically effective amount of a second analgesic, wherein the second analgesic is tramadol, gamma-aminobutyric acid (GABA) analogue or an NSAID.
• Lipase-catalysed resolution of 2-dialkylaminomethylcyclohexanols
  作者：Enikõ Forró、Liisa T. Kanerva、Ferenc Fülöp

  DOI：10.1016/s0957-4166(98)00019-6

  日期：1998.2

  The lipase PS-and Novozym 435-catalysed resolutions of 2-dialkylaminomethylcyclohexanols (A-F) with various vinyl esters were studied in different organic media. High enantioselectivity (E>200) was observed when vinyl acetate was used as an acylating agent and diethyl ether as a solvent. The (1R,2R) enantiomers react preferentially in the case of the cis isomers, whereas the (1R,2S) enantiomers do so in the case of the trans counterparts, Reaction rates were markedly affected by the solvent and by the quantity of the enzyme. (C) 1998 Elsevier Science Ltd. All rights reserved.