1-(1'-cyclohexenyl)-1-cyclohexylmethanol | 39746-40-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(1'-cyclohexenyl)-1-cyclohexylmethanol
• 英文别名: Cyclohexen-1-yl(cyclohexyl)methanol
• CAS: 39746-40-2
• 化学式: C₁₃H₂₂O
• 分子量: 194.317
• InChiKey: ZTVUTLRMAWJDNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(1'-cyclohexenyl)-1-cyclohexylmethanol 在 diethylzinc 、 三正丁基氢锡 、 potassium hydride 作用下， 以 苯 为溶剂， 生成 (1E)-1-(cyclohexylmethylidene)-2-methylcyclohexane
  参考文献：
  名称：

  环丙基羰基自由基介导的扩环成七元碳环

  摘要：

  提出了自由基介导的扩环方法，其中可以由双环[4.1.0]庚基-1-甲醇的相应的黄原酸酯衍生物制备7元碳环。在某些系统中，中间环庚基自由基似乎在动力学上优于环己基自由基，但环丙基羰基自由基断裂的方向在双环[4.1.0]庚基-1-甲基环上容易被取代。

  DOI：

  10.1016/s0040-4039(98)00311-6
• 作为产物：
  描述：

  1-(phenylthio)cyclohex-1-ene 在 LiDBB 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 1-(1'-cyclohexenyl)-1-cyclohexylmethanol
  参考文献：
  名称：

  A simple method for producing cycloalkenyllithiums from cycloalkanones via reductive lithiation of enol phenyl thioethers

  摘要：

  DOI：

  10.1021/jo00303a004

文献信息

• [EN] FLUORO-PERHEXILINE COMPOUNDS AND THEIR THERAPEUTIC USE<br/>[FR] COMPOSÉS DE FLUORO-PERHEXILINE ET LEUR UTILISATION THÉRAPEUTIQUE
  申请人：UNIV ABERDEEN

  公开号：WO2014184561A1

  公开（公告）日：2014-11-20

  The present invention pertains generally to the field of therapeutic compounds. More specifically the present invention pertains to certain fluoro-perhexiline compounds of the following formula (also referred to herein as FPER compounds) that are useful, for example, in the treatment of disorders (e.g., diseases) including, for example, those which are known to be treated with, or known to be treatable with, perhexiline, including, for example, disorders that are ameliorated by the inhibition of carnitine palmitoyltransferase (CPT); cardiovascular disorders such as: angina pectoris; heart failure (HF); ischaemic heart disease (IHD); cardiomyopathy; cardiac dysrhythmia; stenosis of a heart valve; hypertrophic cardiomyopathy (HCM); coronary heart disease; and other disorders, for example, diabetes and cancer. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, for example, in therapy.

  本发明一般涉及治疗化合物领域。更具体地，本发明涉及以下式（在本文中也称为FPER化合物）的某些氟代perhexiline化合物，例如用于治疗包括已知可用perhexiline治疗或已知可用perhexiline治疗的紊乱（例如疾病），包括通过抑制肉碱棕榈酰基转移酶（CPT）改善的紊乱，如：心绞痛；心力衰竭（HF）；缺血性心脏病（IHD）；心肌病；心脏心律失常；心脏瓣膜狭窄；肥厚型心肌病（HCM）；冠心病；以及其他疾病，例如糖尿病和癌症。本发明还涉及包括这些化合物的药物组合物，以及这些化合物和组合物的用途，例如在治疗中的用途。
• Kinetic resolution of racemic allylic alcohols <i>via</i> iridium-catalyzed asymmetric hydrogenation: scope, synthetic applications and insight into the origin of selectivity
  作者：Haibo Wu、Cristiana Margarita、Jira Jongcharoenkamol、Mark D. Nolan、Thishana Singh、Pher G. Andersson

  DOI：10.1039/d0sc05276k

  日期：——

  Asymmetric hydrogenation is one of the most commonly used tools in organic synthesis, whereas, kinetic resolution via asymmetric hydrogenation is less developed. Herein, we describe the first iridium catalyzed kinetic resolution of a wide range of trisubstituted secondary and tertiary allylic alcohols. Large selectivity factors were observed in most cases (s up to 211), providing the unreacted starting

  不对称氢化是有机合成中最常用的工具之一，而通过不对称氢化进行动力学拆分的开发较少。在此，我们描述了各种三取代仲和叔烯丙醇的第一次铱催化动力学拆分。在大多数情况下观察到较大的选择性因子（高达211），从而以良好的收率和高水平的对映体纯度（ee 高达 >99%）提供未反应的起始材料。该方法的实用性在一些生物活性天然产物的对映选择性正式合成中得到了强调，包括 pumiliotoxin A、inthomycin A 和 B。提出了 DFT 研究和关于选择性起源的选择性模型。
• FLUORO-PERHEXILINE COMPOUNDS AND THEIR THERAPEUTIC USE
  申请人：THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN

  公开号：US20160102058A1

  公开（公告）日：2016-04-14

  The present invention pertains generally to the field of therapeutic compounds. More specifically the present invention pertains to certain fluoro-perhexiline compounds of the following formula (also referred to herein as FPER compounds) that are useful, for example, in the treatment of disorders (e.g., diseases) including, for example, those which are known to be treated with, or known to be treatable with, perhexiline, including, for example, disorders that are ameliorated by the inhibition of carnitine palmitoyltransferase (CPT); cardiovascular disorders such as: angina pectoris; heart failure (HF); ischaemic heart disease (IHD); cardiomyopathy; cardiac dysrhythmia; stenosis of a heart valve; hypertrophic cardiomyopathy (HCM); coronary heart disease; and other disorders, for example, diabetes and cancer. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, for example, in therapy.

  本发明一般涉及治疗化合物领域。更具体地，本发明涉及下列公式的某些氟代perhexiline化合物（在此称为FPER化合物），例如用于治疗障碍（例如疾病），包括那些已知可以用perhexiline治疗或可以用perhexiline治疗的障碍，包括例如通过抑制肉碱棕榈酰转移酶（CPT）改善的障碍：心绞痛，心力衰竭（HF），缺血性心脏病（IHD），心肌病，心脏心律失常，心脏瓣膜狭窄，肥厚型心肌病（HCM），冠心病以及其他障碍，例如糖尿病和癌症。本发明还涉及包含这些化合物的制药组合物，以及这些化合物和组合物的使用，例如在治疗中的使用。
• COHEN, THEODORE;DOUBLEDAY, MARY DOSCH, J. ORG. CHEM., 55,(1990) N6, C. 4784-4786
  作者：COHEN, THEODORE、DOUBLEDAY, MARY DOSCH

  DOI：——

  日期：——
• [EN] NOVEL AROMATIC DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME<br/>[FR] NOUVEAUX DÉRIVÉS AROMATIQUES ET DISPOSITIF ÉLECTROLUMINESCENT ORGANIQUE LES COMPRENANT
  申请人：DAEJOO ELECTRONIC MAT CO LTD

  公开号：WO2010038956A2

  公开（公告）日：2010-04-08

  The compound of formula (I) of the present invention has improved thermal and thin film stability which can be advantageously used in the manufacture of an organic electroluminescent device having improved properties in terms of luminous efficiency, operation stability, color purity, and life time.