1-(4-methoxyphenyl)-2,6-dimethylcyclohexan-1-o

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(4-methoxyphenyl)-2,6-dimethylcyclohexan-1-o
• 英文别名: 1-(4-Methoxyphenyl)-2,6-dimethylcyclohexan-1-ol
• 化学式: C₁₅H₂₂O₂
• 分子量: 234.338
• InChiKey: XSWOXBRKSRIDQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(三氟甲硫基)邻苯二甲酰亚胺 、 1-(4-methoxyphenyl)-2,6-dimethylcyclohexan-1-o 在 10-甲基-9-均三甲苯基吖啶高氯酸盐 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 18.0h， 以65%的产率得到1-(4-methoxyphenyl)-2-methyl-6-((trifluoromethyl)thio)heptan-1-one
  参考文献：
  名称：

  Remote Trifluoromethylthiolation Enabled by Organophotocatalytic C–C Bond Cleavage

  摘要：

  The first metal-free ring opening/trifluoromethylthiolation of cycloalkanols for the formation of remote C(sp(3))-SCF3 bonds has been developed. A variety of trifluoromethylthiolated carbonyl compounds that are otherwise difficult to achieve were prepared in good yields under mild reaction conditions. The reaction is assumed to proceed via C-C bond cleavage of the alkoxyl radical species generated via a photoredox-enabled intramolecular proton-coupled electron transfer process, followed by trifluoromethylthiolation of the resulting C-centered radical with the N-(trifluoromethylthio)phthalimide reagent.

  DOI：

  10.1021/acs.orglett.0c00493
• 作为产物：
  描述：

  二甲基环已酮 、 4-甲氧基苯基溴化镁 以 2-甲基四氢呋喃 、 乙醚 为溶剂， 生成 1-(4-methoxyphenyl)-2,6-dimethylcyclohexan-1-o
  参考文献：
  名称：

  Visible light-promoted difluoromethylthiolation of cycloalkanols by C–C bond cleavage

  摘要：

  通过 C-C 键裂解实现了环烷醇的高效、无过渡金属、光催化二氟甲基硫代反应，从而合成了远端二氟甲基硫代烷基酮。

  DOI：

  10.1039/d3ob02078a

文献信息

• Organophotocatalytic ring opening/remote trifluoromethylselenolation of cycloalkanols
  作者：Qingyao Zhang、Wanqiang Yuan、Yingbo Shi、Fei Pan

  DOI：10.1016/j.tetlet.2022.153787

  日期：2022.5

  An organophotocatalytic ring opening/remote trifluoromethylselenolation of cycloalkanols is reported. This reaction proceeds the radical ring-opening in a photocatalytic system without metal catalysis under mild conditions, followed by the formation of the remote C(sp3)-SeCF3 bond in the presence of PhSO2SeCF3. The reaction brings out highly reactive to prepare trifluoromethylselenolated carbonyl compounds

  报道了环烷醇的有机光催化开环/远程三氟甲基硒化。该反应在温和条件下在没有金属催化的光催化体系中进行自由基开环，然后在PhSO 2 SeCF 3存在下形成远程C(sp 3 )-SeCF 3键。该反应制备出高反应性的三氟甲基硒化羰基化合物，适用于多种芳环醇，同时兼容不同的环系，收率高，其中26个实例，最高分离收率93%。
• Inositol compounds and uses of same in the treatment of diseases characterized by abnormal protein folding or aggregation or amyloid formation, desposition, accumulation or persistence
  申请人：Cruz Antonio

  公开号：US20070111970A1

  公开（公告）日：2007-05-17

  Inositol derivatives are described that are represented by the structural formula I wherein X is a radical of scyllo-inositol wherein one or more of R 1 , R 2 , R 3 , R 4 , R 5 , and R 6 are independently alkyl, alkenyl, alkynyl, alkylene, alkenylene, alkoxy, alkenyloxy, cycloalkyl, cycloalkenyl, cycloalkoxy, aryl, aryloxy, arylalkoxy, aroyl, heteroaryl, heterocyclic, acyl, acyloxy, sulfoxide, sulfate, sulfonyl, sulfenyl, sulfonate, sulfinyl, amino, imino, azido, thiol, thioalkyl, thioalkoxy, thioaryl, nitro, cyano, halo, seleno, silyl, silyloxy, silylthio, carboxyl, carbonyl, carbamoyl, or carboxamide and the other of R 1 , R 2 , R 3 , R 4 , R 5 , or R 6 are hydroxyl, or pharmaceutically acceptable salts thereof. The compounds, compositions comprising same and methods using same are described for use in the prevention and/or treatment of diseases characterized by abnormal protein folding or aggregation or amyloid formation, desposition, accumulation or persistence.
• SCYLLO-INOSITOL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASES CHARACTERIZED BY ABNORMAL PROTEIN FOLDING OR AGGREGATION OR AMYLOID FORMATION, DEPOSITION, ACCUMULATION OR PERSISTENCE
  申请人：Cruz Antonio

  公开号：US20090170957A1

  公开（公告）日：2009-07-02

  Scyllo-Inositol derivatives represented by structural formula II are described, wherein at least one and not more than five of R 1 , R 2 , R 3 , R 4 , R 5 and R 6 is hydroxyl and the other of R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are independently alkyl, alkenyl, alkynyl, alkylene, alkenylene, alkoxy, alkenyloxy, cycloalkyl, cycloalkenyl, cycloalkoxy, aryl, aryloxy, arylalkoxy, aroyl, heteroaryl, heterocyclic, acyl, acyloxy, sulfoxide, sulfate, sulfonyl, sulfenyl, sulfonate, sulfinyl, ammo, lmmo, azido, thiol, thioalkyl, thioaryl, mtro, cyano, halo, seleno, silyl, silyloxy, silylthio, carboxyl, carbonyl, carbamoyl or carbamide, or pharmaceutically acceptable salts thereof. Said derivatives and compositions comprising the same are useful in the prevention and/or treatment of diseases characterized by abnormal protein folding or aggregation or amyloid formation, deposition, accumulation or persistence.
• Inositol Compounds and Uses of Same in the Treatment of Diseases Characterized by Abnormal Protein Folding or Aggregation or Amyloid Formation, Desposition, Accumulation or Persistence
  申请人：Curz Antonio

  公开号：US20100105631A1

  公开（公告）日：2010-04-29

  Inositol derivatives are described that are represented by the structural formula I wherein X is a radical of scyllo-inositol wherein one or more of R 1 , R 2 , R 3 , R 4 , R 5 , and R 6 are independently alkyl, alkenyl, alkynyl, alkylene, alkenylene, alkoxy, alkenyloxy, cycloalkyl, cycloalkenyl, cycloalkoxy, aryl, aryloxy, arylalkoxy, aroyl, heteroaryl, heterocyclic, acyl, acyloxy, sulfoxide, sulfate, sulfonyl, sulfenyl, sulfonate, sulfinyl, amino, imino, azido, thiol, thioalkyl, thioalkoxy, thioaryl, nitro, cyano, halo, seleno, silyl, silyloxy, silylthio, carboxyl, carbonyl, carbamoyl, or carboxamide and the other of R 1 , R 2 , R 3 , R 4 , R 5 , or R 6 are hydroxyl, or pharmaceutically acceptable salts thereof. The compounds, compositions comprising same and methods using same are described for use in the prevention and/or treatment of diseases characterized by abnormal protein folding or aggregation or amyloid formation, desposition, accumulation or persistence.
• SCREENING METHODS FOR AMYLOID BETA MODULATORS
  申请人：Slon-Usakiewicz Jacek

  公开号：US20110028719A1

  公开（公告）日：2011-02-03

  The present invention relates to methods for screening, identifying, and/or quantifying modulators of amyloid and/or aggregates, fibrils or components thereof, in particular modulators of amyloid β-peptide (Aβ) or Aβ fibrils. Aspects of the invention provide methods for screening putative modulators against an Amyloid target, in particular an Aβ target, so as to determine which modulators bind to or interact with the target, or interfere with the interaction of an indicator agent and the target. Particular aspects of the invention employ mass spectrometric methods for the screening of an Amyloid target against compound libraries, in particular mixtures of compounds or combinatorial libraries.