1-methoxy-2,2,6,6-tetramethylcyclohexane | 78414-58-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-methoxy-2,2,6,6-tetramethylcyclohexane
• 英文别名: 2-Methoxy-1,1,3,3-tetramethylcyclohexane
• CAS: 78414-58-1
• 化学式: C₁₁H₂₂O
• 分子量: 170.295
• InChiKey: MKSZZGXGRXFOLU-UHFFFAOYSA-N

物化性质

• 沸点：
  177.2±8.0 °C(Predicted)
• 密度：
  0.85±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  12
• 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：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2,2,6,6-四甲基环己烷-1-醇 、 碘甲烷 在 sodium hydride 作用下， 以 乙醚 为溶剂， 生成 1-methoxy-2,2,6,6-tetramethylcyclohexane
  参考文献：
  名称：

  甲氧基环己烷衍生物的13 C核磁共振谱。由甲氧基和环碳的13 C化学位移和3 J C，H耦合常数表明，C–OMe键的旋转子种群

  摘要：

  甲氧基13下在methoxycyclohexane衍生物的化学位移可以在关于C-OME键的旋转异构体群的术语和δ合理化1个效果-由与在相邻的取代基的2-和6-位的甲氧基的基团的空间相互作用。还可从C-2和C-6的13 C化学位移，以及C-1的质子和甲氧基-碳原子之间的三键耦合获得有关旋转异构体种群的信息。

  DOI：

  10.1039/p19810001671

文献信息

• TBHP as Methyl Source under Metal-Free Aerobic Conditions To Synthesize Quinazolin-4(3<i>H</i> )-ones and Quinazolines by Oxidative Amination of C(sp³ )-H Bond
  作者：Sushobhan Mukhopadhyay、Dinesh S. Barak、Sanjay Batra

  DOI：10.1002/ejoc.201800495

  日期：2018.6.15

  tert‐Butyl hydroperoxide (TBHP) served as the methyl source under metal‐free aerobic conditions in the oxidative amination of a C(sp3)–H bond to provide quinazolin‐4(3H)‐one and quinazoline derivatives.

  在无金属好氧条件下，叔丁基过氧化氢（TBHP）在C（sp 3）-H键的氧化胺化反应中作为甲基源，提供了quinazolin-4（3 H）-one和quinazoline衍生物。
• 2,5,6,7-tetranor-4,8-inter-m-phenylene PGI2 derivatives
  申请人：TORAY INDUSTRIES, INC.

  公开号：EP0232776A2

  公开（公告）日：1987-08-19

  Disclosed herein are novel prostaglandin I2 (PGI2) derivatives exhibiting excellent in vivo duration and acitivities, said derivatives being represented by the general formula: wherein R1, X, R2 and R3 are as defined herein.

  本文公开了新型前列腺素 I2 (PGI2) 衍生物，其在体内的持续时间和活性极佳，所述衍生物由通式表示： 其中 R1、X、R2 和 R3 如本文所定义。
• 2,5,6,7-TETRANOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND USE THEREOF
  申请人：TORAY INDUSTRIES, INC.

  公开号：EP0365678A1

  公开（公告）日：1990-05-02

  2,5,6,7-Tetranor-4,8-inter-m-phenylene PGl2 derivatives such as 16-methyl-2,5,6,-tetranor-4,8-!nter-m-phenylene PGl2 and its methyl ester, 17-methyl-2,5,6,7-tetranor-4,8-inter-m-phenylene PGl2 and its methyl ester, 15-phenyl-2,5,6,7,16,17,18,19,20-nonanor-4,8-inter-m-phenylene PGI2, 16-methyl-17-phenyl-2,5,6,7,18,19,20-heptanor-4,8-l-nter-m- phenylene PGl2, 16,16-dimethyl-17-phenyl-2,5,6,7,18,19,20-heptanor--4,8-inter-m-phenylene PG12, 16-methyl-16-phenoxy-2.5,6,7,17,18,19,20-octanor-4, 8- ,inter-m-phenylene PGI2, 16-methyl-16-phenoxy-2,5,6,7,18,19,20-heptanor-4,8--inter-m- phenylene PGl2 and its methyl ester and 3-decarboxy-3-hydroxymethyl-16-methyl-16-phenoxy-2,5.6.7,18,19,20-heptanor- 4,8-inter-m-phenylene PG12, useful as medicines, are disclosed. These derivatives are useful as, for example, antiulceric agents, hypotensives, and antithrombotic agents.

  nter-m-phenylene PGl2 及其甲酯、17-甲基-2,5,6,7-tetranor-4,8-inter-m-phenylene PGl2 及其甲酯、15-苯基-2,5,6,7,16,17,18,19,20-nonanor-4,8-inter-m-phenylene PGI2、16-methyl-17-phenyl-2,5,6,7,18,19,20-heptanor-4,8-l-nter-m- phenylene PGl2, 16,16-dimethyl-17-phenyl-2,5,6,7,18,19,20-heptanor--4,8-inter-m-phenylene PG12, 16-methyl-16-phenoxy-2.5,6,7,17,18,19,20-辛硼烷-4,8-间亚苯基 PGI2、16-甲基-16-苯氧基-2,5,6,7,18,19,20-庚硼烷-4,8-间亚苯基 PGl2 及其甲酯和 3-癸羧基-3-羟甲基-16-甲基-16-苯氧基-2,5,6,7,18,19,20-庚硼烷-4,8-间亚苯基 PGl2 及其甲酯。6.7,18,19,20-heptanor- 4,8-inter-m-phenylene PG12，可用作药物。这些衍生物可用作抗溃疡剂、降血压剂和抗血栓剂等。
• 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives
  申请人：TORAY INDUSTRIES, INC.

  公开号：EP0389162A1

  公开（公告）日：1990-09-26

  Compounds of the following formula are stable and potent analogues of prostacyclin.

  下式所示化合物 是稳定而有效的前列环素类似物。
• Organic electroluminescent materials and devices
  申请人：Universal Display Corporation

  公开号：US10862055B2

  公开（公告）日：2020-12-08

  Novel ligands for cyclometalated complexes that provide near-infrared emission are disclosed. The ligands contain strong electron-donating side chains such as alkoxy or alkylamine on a phenyl or naphthyl moiety which is linked by a covalent bond to the metal. This combination provides a significant red shift of the emission of the emitter.

  本研究公开了可提供近红外发射的环金属化配合物的新型配体。配体含有强电子捐赠侧链，例如苯基或萘基分子上的烷氧基或烷基胺，这些侧链通过共价键与金属相连。这种组合可使发射体的发射发生明显的红移。