1-methoxy-3-(3-methylpentan-3-yl)benzene | 1365655-97-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-methoxy-3-(3-methylpentan-3-yl)benzene
• CAS: 1365655-97-5
• 化学式: C₁₃H₂₀O
• 分子量: 192.301
• InChiKey: GACCCCSDGBMWFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 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：

  3-甲氧基苯甲酸甲酯 在 氯化亚砜 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 反应 2.0h， 生成 1-methoxy-3-(3-methylpentan-3-yl)benzene
  参考文献：
  名称：

  Access to “Friedel–Crafts-Restricted” tert-Alkyl Aromatics by Activation/Methylation of Tertiary Benzylic Alcohols

  摘要：

  Herein we describe a two-step protocol to prepare m-tert-alkylbenzenes. The appropriate tertiary benzylic alcohols are activated with SOCl2 or concentrated HCl and then treated with trimethylaluminum, affording the desired products in 68-97% yields (22 examples). This reaction sequence is successful in the presence of a variety of functional groups, including acid-sensitive and Lewis-basic groups. In addition to t-Bu groups, 1,1-dimethylpropyl and 1-ethyl-1-methylpropyl groups can also be installed using this method.

  DOI：

  10.1021/jo202371c

文献信息

• Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof
  申请人：UNOKI Gen

  公开号：US20090054472A1

  公开（公告）日：2009-02-26

  A pyrazolopyrimidine derivative represented by formula (1) and pharmaceutically acceptable salt thereof exhibit excellent inhibitory activity against MAPKAP-K2. Accordingly, medicines containing this compound as an active ingredient are expected to be effective for treating diseases mediated by MAPKAP-K2 such as, for example, inflammatory disorder, autoimmune diseases, destructive osteopathy, cancer and/or tumor growth.

  式（1）所表示的吡唑并嘧啶衍生物及其药学上可接受的盐，表现出对MAPKAP-K2的优异抑制活性。因此，含有该化合物作为活性成分的药物预计将对由MAPKAP-K2介导的疾病具有治疗作用，例如，炎症性疾病、自身免疫性疾病、破坏性骨病、癌症和/或肿瘤生长。
• US7235548B2
  申请人：——

  公开号：US7235548B2

  公开（公告）日：2007-06-26
• Access to “Friedel–Crafts-Restricted” <i>tert</i>-Alkyl Aromatics by Activation/Methylation of Tertiary Benzylic Alcohols
  作者：Joshua A. Hartsel、Derek T. Craft、Qiao-Hong Chen、Ming Ma、Paul R. Carlier

  DOI：10.1021/jo202371c

  日期：2012.4.6

  Herein we describe a two-step protocol to prepare m-tert-alkylbenzenes. The appropriate tertiary benzylic alcohols are activated with SOCl2 or concentrated HCl and then treated with trimethylaluminum, affording the desired products in 68-97% yields (22 examples). This reaction sequence is successful in the presence of a variety of functional groups, including acid-sensitive and Lewis-basic groups. In addition to t-Bu groups, 1,1-dimethylpropyl and 1-ethyl-1-methylpropyl groups can also be installed using this method.