cis-3-n-Propyl-cyclohexanol | 87759-29-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: cis-3-n-Propyl-cyclohexanol
• 英文别名: (1R,3S)-3-propylcyclohexan-1-ol
• CAS: 87759-29-3
• 化学式: C₉H₁₈O
• 分子量: 142.241
• InChiKey: FVBXFGIVCJUGEG-DTWKUNHWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 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：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  (S)-(-)-3-Propylcyclohexanone 在 sodium tetrahydroborate 、 1,4-dihydronicotinamide adenine dinucleotide 、 horse liver alcohol dehydrogenase 作用下， 生成 cis-3-n-Propyl-cyclohexanol 、 (1S,3S)-3-n-propylcyclohexanol 、 (1S,3R)-3-n-propylcyclohexanol 、 (1R,3R)-3-Propyl-cyclohexanol
  参考文献：
  名称：

  Use of shift reagent with MTPA derivatives in19F NMR spectrocopy: IV—Determination of enantiomeric composition for a variety of secondary cycloalkanols. A survey

  摘要：

  AbstractChiral secondary cycloalkanols (monocyclic alcohols) are derivatized to the corresponding (R)‐α‐methoxy‐α‐trifluoromethyl‐α‐phenylacetic acid [(R)‐MTPA] esters and analysed by 19F NMR in the presence of tris(6,6,7,7,8,8,8‐heptafluoro‐2,2‐dimethyl‐3,5‐octanedionato) europium(III) [Eu(fod)3]. Using this method the enantiomeric composition can be measured for several cyclopentanols, cyclohexanols and cycloheptanols, with a variety of substitution patterns. It is shown that a mixture of four stereoisomeric cycloalkanols, such as cis and trans disubstituted alcohols, can be analysed simultaneously.

  DOI：

  10.1002/omr.1270210609

文献信息

• Indole derivatives and their use in neurodegenerative diseases
  申请人：Merck Patent GmbH

  公开号：US10676433B2

  公开（公告）日：2020-06-09

  The present invention relates to indole compounds, and pharmaceutically acceptable compositions thereof, useful as antagonists of P2X7, and for the treatment of P2X7-related disorders.

  本发明涉及作为 P2X7 拮抗剂和用于治疗 P2X7 相关疾病的吲哚化合物及其药学上可接受的组合物。
• NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES
  申请人：Merck Patent GmbH

  公开号：US20190161447A1

  公开（公告）日：2019-05-30

  The present invention relates to indole compounds, and pharmaceutically acceptable compositions thereof, useful as antagonists of P2X7, and for the treatment of P2X7-related disorders.
• Use of shift reagent with MTPA derivatives in19F NMR spectrocopy: IV—Determination of enantiomeric composition for a variety of secondary cycloalkanols. A survey
  作者：E. M. Merckx、J. A. Lepoivre、G. L. Lemière、F. C. Alderweireldt

  DOI：10.1002/omr.1270210609

  日期：1983.6

  AbstractChiral secondary cycloalkanols (monocyclic alcohols) are derivatized to the corresponding (R)‐α‐methoxy‐α‐trifluoromethyl‐α‐phenylacetic acid [(R)‐MTPA] esters and analysed by 19F NMR in the presence of tris(6,6,7,7,8,8,8‐heptafluoro‐2,2‐dimethyl‐3,5‐octanedionato) europium(III) [Eu(fod)3]. Using this method the enantiomeric composition can be measured for several cyclopentanols, cyclohexanols and cycloheptanols, with a variety of substitution patterns. It is shown that a mixture of four stereoisomeric cycloalkanols, such as cis and trans disubstituted alcohols, can be analysed simultaneously.