1-ethyl,3,3,5,5-tetramethyl cyclohexanol | 78829-27-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 1-ethyl,3,3,5,5-tetramethyl cyclohexanol
• 英文别名: 1-Ethyl-3,3,5,5-tetramethylcyclohexan-1-ol
• CAS: 78829-27-3
• 化学式: C₁₂H₂₄O
• 分子量: 184.322
• InChiKey: SPECQTZOKMFQJF-UHFFFAOYSA-N

物化性质

• 沸点：
  218.4±8.0 °C(Predicted)
• 密度：
  0.852±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  13
• 可旋转键数：
  1
• 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

• 作为反应物：
  描述：

  1-ethyl,3,3,5,5-tetramethyl cyclohexanol 在 三(2-氯乙基)胺 、 四氯化钛 作用下， 以 氯仿 为溶剂， 反应 24.0h， 以39%的产率得到1-Azido-1-ethyl-3,3,5,5-tetramethylcyclohexane
  参考文献：
  名称：

  Synthesis and structure–affinity relationships of 1,3,5-alkylsubstituted cyclohexylamines binding at NMDA receptor PCP site

  摘要：

  A series of 1,3,5-alkylsubstituted cyclohexylamines 2 were synthesized as ligands for the N-methyl-D-aspartate (NMDA) receptor phencyclidine (PCP) binding site. Pure diastereomers with defined configuration of amino group 2-ax and 2-eq were obtained. The optimal size of 1,3,5-substituents was determined for cyclohexylamines 2 with an equatorial amino group in the lowest energy conformation using Hansch analysis. According to the data, the lipophilic part of cyclohexylamines 2 does not discriminate between hydrophobic regions of the PCP binding site but rather recognizes this site as a whole lipophilic pocket. (C) 2000 Editions scientifiques et medicales Elsevier SAS.

  DOI：

  10.1016/s0223-5234(00)00153-7
• 作为产物：
  描述：

  3,3,5,5-四甲基环己酮 、 碘乙烷 在 magnesium 作用下， 以 乙醚 为溶剂， 生成 1-ethyl,3,3,5,5-tetramethyl cyclohexanol
  参考文献：
  名称：

  Structural information from OH stretching frequencies—VI. On the presence of different rotamers in alkyl substituted tertiary adamantanol-2 and bicylo[3.3.1]nonanol-9 compounds

  摘要：

  DOI：

  10.1016/0584-8539(81)80099-2

文献信息

• [EN] METHOD OF PREPARING 1-HYDROXY-1,3,3,5,5-PENTAMETHYLCYCLOHEXANE<br/>[FR] PROCÉDÉ DE PRÉPARATION DE 1-HYDROXY-1,3,3,5,5-PENTAMÉTHYLCYCLOHEXANE
  申请人：MERZ PHARMA GMBH & CO KGAA

  公开号：WO2011000536A1

  公开（公告）日：2011-01-06

  Method of preparing 1-hydroxy-1,3,3,5,5-pentamethylcyclohexane comprising step (ii): (ii) converting 3,3,5,5-tetramethylcyclohexanone to 1-hydroxy-1,3,3,5,5- pentamethylcyclohexane by using methylmagnesium chloride. 1-hydroxy-1,3,3,5,5- pentamethylcyclohexane may be used for preparing 1-amino-1,3,3,5,5- pentamethylcyclohexane (Neramexane) or a pharmaceutically acceptable salt thereof.

  制备1-羟基-1,3,3,5,5-五甲基环己烷的方法包括步骤(ii)：(ii) 通过使用氯化甲基镁将3,3,5,5-四甲基环己酮转化为1-羟基-1,3,3,5,5-五甲基环己烷。1-羟基-1,3,3,5,5-五甲基环己烷可用于制备1-氨基-1,3,3,5,5-五甲基环己烷（Neramexane）或其药用可接受的盐。
• [EN] METHOD OF PREPARING 1-CHLOROACETAMIDO-1,3,3,5,5-PENTAMETHYLCYCLOHEXANE<br/>[FR] PROCÉDÉ DE PRÉPARATION DE 1-CHLOROACÉTAMIDO-1,3,3,5,5-PENTAMÉTHYLCYCLOHEXANE
  申请人：MERZ PHARMA GMBH & CO KGAA

  公开号：WO2011000537A1

  公开（公告）日：2011-01-06

  Method of preparing 1-chloroacetamido-1,3,3,5,5-pentamethylcyclohexane, an intermediate in the synthesis of 1-amino-1,3,3,5,5-pentamethylcyclohexane (Neramexane) or a pharmaceutically acceptable salt thereof, comprising step (iii): (iii) reacting 1-hydroxy-1,3,3,5,5-pentamethylcyclohexane with chloroacetonitrile in the presence of an acid, wherein 1-hydroxy-1,3,3,5,5-pentamethylcyclohexane is employed in step (iii) as obtained in the reaction of a methylmagnesium halide with 3,3,5,5-tetramethylcyclohexanone without having been subjected to a purification step.

  制备1-氯乙酰胺基-1,3,3,5,5-五甲基环己烷的方法，该方法是合成1-氨基-1,3,3,5,5-五甲基环己烷（Neramexane）或其药用可接受盐的中间体，包括步骤（iii）：（iii）在酸的存在下，将1-羟基-1,3,3,5,5-五甲基环己烷与氯乙腈反应，其中1-羟基-1,3,3,5,5-五甲基环己烷在步骤（iii）中作为反应得到的，该反应是甲基镁卤化物与3,3,5,5-四甲基环己酮反应而得，而未经过纯化步骤。
• Remane, Horst; Borsdorf, Rolf; Jaspers, Veronika, Zeitschrift fur Chemie, 1980, vol. 20, # 9, p. 345 - 346
  作者：Remane, Horst、Borsdorf, Rolf、Jaspers, Veronika

  DOI：——

  日期：——
• METHOD OF PREPARING 1-HYDROXY-1,3,3,5,5-PENTAMETHYLCYCLOHEXANE
  申请人：Merz Pharma GmbH & Co. KGaA

  公开号：EP2448896A1

  公开（公告）日：2012-05-09
• PATTERNING PROCESS AND RESIST COMPOSITION
  申请人：Shin-Etsu Chemical Co., Ltd.

  公开号：US20140051026A1

  公开（公告）日：2014-02-20

  A negative pattern is formed by coating a resist composition comprising a polymer comprising recurring units having a tertiary ester type acid labile group having a plurality of methyl or ethyl groups on alicycle and an acid generator onto a substrate, prebaking, exposing to high-energy radiation, baking, and developing in an organic solvent developer so that the unexposed region of resist film is dissolved away and the exposed region of resist film is not dissolved. The resist composition exhibits a high dissolution contrast during organic solvent development and forms a fine hole or trench pattern of dimensional uniformity.