(+)-3,3-Dimethylcyclohexanol | 49817-54-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (+)-3,3-Dimethylcyclohexanol
• 英文别名: (1S)-3,3-dimethylcyclohexan-1-ol
• CAS: 49817-54-1
• 化学式: C₈H₁₆O
• 分子量: 128.214
• InChiKey: DQBDGNSFXSCBJX-ZETCQYMHSA-N

物化性质

• 沸点：
  174.3±8.0 °C(Predicted)
• 密度：
  0.903±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  9
• 可旋转键数：
  0
• 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：

  3,3-二甲基环己酮 在 1,4-dihydronicotinamide adenine dinucleotide 作用下， 生成 (+)-3,3-Dimethylcyclohexanol
  参考文献：
  名称：

  Osselaer, T. A. Van; Lemiere, G. L.; Lepoivre, J. A., Bulletin des Societes Chimiques Belges, 1980, vol. 89, # 5, p. 389 - 398

  摘要：

  DOI：

文献信息

• Cyclisation of optically active dihydromyrcenes (2,6-dimethyl-2,7-octadiene)
  作者：H.R. Ansari

  DOI：10.1016/s0040-4020(01)83397-4

  日期：1973.1

  The isomeric (+) and (−)-dihydromyrcene cyclise in organic acids through a stereospecific ring contraction process to give the esters of α-(S)-(+)-1-(α-hydroxyethyl)-3,3-dimethylcyclohexane and α(R)-(−)-1-(α-hydroxyethyl)-3,3-dimethylcyclohexane respectively. Small amounts of enantiomeric cis- and trans-tetrahydroeucarvyl esters are also formed. The absolute configuration of the chiral carbinol centres

  通过立体定向环收缩过程，有机酸中的（+）和（-）-二氢月桂烯异构体环化生成α-（S）-（+）-1-（α-羟乙基）-3,3-二甲基环己烷和α（R）-（-）-1-（α-羟乙基）-3,3-二甲基环己烷。也形成少量对映体的顺式和反式四氢真叶酸酯。手性甲醇中心的绝对构型已使用Horeau方法确定。同样，首次实现了3，3-二甲基环己醇的两种光学异构体的合成。
• Bradykinin 1 Receptor Antagonists
  申请人：Zhu Jiawang

  公开号：US20090227601A1

  公开（公告）日：2009-09-10

  The invention encompasses novel compounds and pharmaceutically acceptable derivatives thereof, pharmaceutical compositions and methods for treatment of diseases mediated by B1 bradykinin receptor.

  该发明涵盖了新型化合物及其药学上可接受的衍生物，药物组合物以及治疗由B1布雷金因子受体介导的疾病的方法。
• 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.
• METHOD TO TREAT SICKLE CELL DISEASE
  申请人：Linden M. Joel

  公开号：US20080009460A1

  公开（公告）日：2008-01-10

  The present invention provides a therapeutic method for treating an inflammatory response caused by a sickle cell crisis, comprising administration of an effective amount amount of an A 2A adenosine receptor agonist. Optionally, the method includes administration of a type IV PDE inhibitor (e.g., rolipram).
• METHOD TO TREAT GASTRIC LESIONS
  申请人：Linden M. Joel

  公开号：US20080027022A1

  公开（公告）日：2008-01-31

  The present invention provides a therapeutic method for treating gastric lesions, including administration to a patient in need thereof of an effective amount of an A 2A adenosine receptor agonist. The A 2A adenosine receptor agonist can be a compound of formula (I) as disclosed herein. The invention further provides a therapeutic method for treating the patient with an A 2A adenosine receptor agonist, optionally, in combination with a Type IV phosphodiesterase (PDE) inhibitor. In one embodiment, the gastric lesions are caused by, or aggravated by, the use of NSAIDS such as, for example, aspirin.