4-(4-叔丁基环己基)苯酚 | 266338-16-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(4-叔丁基环己基)苯酚
• 英文名称: 4-tert-Butyl-cyclohexyl-phenol
• 英文别名: 4-(4-Tert-butylcyclohexyl)phenol
• CAS: 266338-16-3
• 化学式: C₁₆H₂₄O
• 分子量: 232.366
• InChiKey: KPCLVSPXEUXINT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 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：

  trans-4-tert-butylcyclohexyl 4-toluenesulfonate 、 sodium phenoxide 生成 4-(4-叔丁基环己基)苯酚
  参考文献：
  名称：

  Kinetic Studies of Solvolysis. XVI. Phenolysis ofcis- andtrans-4-t-Butylcyclohexyp-Toluenesulfonates. Rates and Product Distribution

  摘要：

  在苯酚、苯-苯酚（重量比3:1）和苯-苯酚（重量比1:1）溶剂中，测量了对苯磺酸酯的顺式和反式4-t-丁基环己基对苯磺酸酯的酚解速率。在75°C时，轴向异构体，即顺式磺酸酯，在苯-苯酚混合物（重量比1:1）中的酚解速率比赤道异构体，即反式磺酸酯快3.08倍；这一因子与在其他羟基溶剂中观察到的轴向-赤道速率比相差不远，表明苯酚是一种典型的溶剂。在与速率测量相同的反应条件下，赤道磺酸酯产生72.5%的t-丁基环己烯、9.4%的t-丁基环己基苯醚（主要是反转的顺式4-t-丁基环己基苯醚）和4.4%的t-丁基环己基酚，而轴向磺酸酯产生87%的t-丁基环己烯和8.7%的苯醚，主要是反转的反式4-t-丁基环己基苯醚，但含有越来越多的保留的（顺式4-t-丁基环己基）和重排的（反式3-t-丁基环己基）苯醚，其余是1.6%的t-丁基环己基酚混合物。从两个磺酸酯得到的保留苯醚的组成百分比，即顺式磺酸酯为20.4%，反式磺酸酯为12.9%，表明苯酚在已知的任何其他羟基溶剂中具有最高的保留程度。最初添加的t-丁基环己烯对烯烃或苯醚的组成没有影响，而初始添加的三乙铵盐和二乙铵盐对苯酚解速率的增强和对苯醚组成的轻微但明确的影响则显著。为了解释顺式异构体速率的提高和阐明保留的溶解产物，提出了氢桥阳离子的假说，但通过对这一酚解反应结果的机制进行考虑，对该假说提出了质疑。

  DOI：

  10.1246/bcsj.42.3288

文献信息

• SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF
  申请人：CAO Bin

  公开号：US20100075994A1

  公开（公告）日：2010-03-25

  The present invention relates to a series of substituted dihydro and tetrahydro oxazolopyrimidinones, specifically, to a series of 2-substituted-2,3-dihydro-oxazolo[3,2-a]pyrimidin-7-ones and 2-substituted-2,3,5,6-tetra-hydro-oxazolo[3,2-a]pyrimidin-7-ones of formula (I): Wherein p, n, X, Y, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and R 8 are as defined herein. This invention also relates to methods of making these compounds including novel intermediates. The compounds of this invention are modulators of metabotropic glutamate receptors (mGluR), particularly, mGluR2 receptor. Therefore, the compounds of this invention are useful as pharmaceutical agents, especially in the treatment and/or prevention of a variety of central nervous system disorders (CNS), including but not limited to acute and chronic neurodegenerative conditions, psychoses, convulsions, anxiety, depression, migraine, pain, sleep disorders and emesis.

  本发明涉及一系列取代二氢和四氢噁唑嘧啶酮，具体地说，涉及一系列式(I)的2-取代-2,3-二氢-噁唑并[3,2-a]嘧啶-7-酮和2-取代-2,3,5,6-四氢-噁唑并[3,2-a]嘧啶-7-酮： 其中p、n、X、Y、R1、R2、R3、R4、R5、R6、R7和R8如本文所定义。本发明还涉及制备这些化合物的方法，包括新颖的中间体。本发明的化合物是代谢型谷氨酸受体（mGluR）的调节剂，特别是mGluR2受体。因此，本发明的化合物在药物制剂中具有用途，特别是在治疗和/或预防各种中枢神经系统疾病（CNS）方面，包括但不限于急性和慢性神经退行性疾病、精神病、癫痫、焦虑、抑郁、偏头痛、疼痛、睡眠障碍和呕吐。
• OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME
  申请人：SHIOZAKI Hiroyoshi

  公开号：US20090306376A1

  公开（公告）日：2009-12-10

  A compound comprising a ring structure including a ring composed of four carbon atoms and two nitrogen atoms and a substituted or unsubstituted amino group bonded to the ring structure.

  一种化合物，包括一个环结构，其中包括由四个碳原子和两个氮原子组成的环，以及与环结构相结合的取代或未取代的氨基团。
• PROCESSES FOR PRODUCING p-SUBSTITUTED PHENOLS
  申请人：CHISSO CORPORATION

  公开号：EP0990633A1

  公开（公告）日：2000-04-05

  Para-substituted phenols are produced at high yield and high selectivity without generating a large quantity of a metal containing drain, and further, para-substituted cyclohexylphenols in which the substituents at position 1 and position 4 of cyclohexanone are in trans relation are produced at high selectivity when a cyclohexanone having a substituent at position 4 is used as reaction substrate. A process for producing a para-substituted phenol comprising the step of reacting a phenol with a compound having carbonyl group by using a clay mineral as catalyst.

  生产对位取代苯酚具有高产率和高选择性，而不会产生大量的含金属排泄物，此外，当使用具有位置 4 取代基的环己酮作为反应底物时，可以高选择性地生产对位取代环己基苯酚，其中环己酮位置 1 和位置 4 的取代基为反式关系。 一种生产对位取代苯酚的工艺，包括用粘土矿物作催化剂，使苯酚与具有羰基的化合物反应的步骤。
• OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM
  申请人：Mitsui Chemicals, Inc.

  公开号：EP1672626A1

  公开（公告）日：2006-06-21

  There are provided an optical recording medium which enables recording and playback with high quality using laser of 300 nm to 900 nm and a novel compound. An optical recording medium wherein the percentage change (|[a2 - a1]/a1| × 100) of the recording layer thickness (a2) at the recorded site of recording layer (A) after recorded with laser light compared with the recording layer thickness (a1) at unrecorded site of said recording layer (A) is less than 25% and the amount of change (|a2 - a1|) of the recording layer thickness (a2) at recorded site of said recording layer (A) after recorded with laser light compared with the recording layer thickness (a1) at unrecorded site of said recording layer (A) is controlled to be less than 15 nm. A compound comprising a six-membered ring structure composed of four carbon atoms and two nitrogen atoms and a substituted or unsubstituted amino group bonded.

  本发明提供了一种光学记录介质，利用波长为 300 纳米至 900 纳米的激光和一种新型化合物可实现高质量的记录和重放。 一种光学记录介质，其中用激光记录后，记录层（A）的记录部位的记录层厚度（a2）与未记录部位的记录层厚度（a1）相比的变化百分比（|[a2-a1]/a1| ×100）小于 25%，且所述记录层（A）的记录部位的记录层厚度（a2）与未记录部位的记录层厚度（a1）相比的变化量（|a2-a1|）小于 25%。a1|）的变化量控制在 15 nm 以下。 一种由四个碳原子和两个氮原子以及一个取代或未取代的氨基键合而成的六元环结构的化合物。
• Optical recording medium and compound used for the same
  申请人：Shiozaki Hiroyoshi

  公开号：US20070054084A1

  公开（公告）日：2007-03-08

  An optical recording medium wherein the percentage change (|[a 2 −a 1 ]/a 1 |×100) of the recording layer thickness (a 2 ) at the recorded site of recording layer (A) after recorded with laser light compared with the recording layer thickness (a 1 ) at unrecorded site of said recording layer (A) is less than 25% and the amount of change (|a 2 −a 1 |) of the recording layer thickness (a 2 ) at recorded site of said recording layer (A) after recorded with laser light compared with the recording layer thickness (a 1 ) at unrecorded site of said recording layer (A) is controlled to be less than 15 nm. The optical recording medium can enable recording and playback with high quality using laser of 300 nm to 900 nm. Also provided is a compound comprising a six-membered ring structure composed of four carbon atoms and two nitrogen atoms and a bonded substituted or unsubstituted amino group.