4-叔丁基-1,2-二甲氧基苯 | 41280-64-2

• 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-叔丁基-1,2-二甲氧基苯
• 英文名称: 4-tert-butyl-1,2-dimethoxybenzene
• 英文别名: 4-tert-butylcatechol dimethyl ether
• CAS: 41280-64-2
• 化学式: C₁₂H₁₈O₂
• mdl: MFCD01105163
• 分子量: 194.274
• InChiKey: FSWSUKGIUZLXKK-UHFFFAOYSA-N

物化性质

• 熔点：
  36-37 °C
• 沸点：
  121-123 °C(Press: 10 Torr)
• 密度：
  0.951±0.06 g/cm3(Predicted)
• 保留指数：
  1430.1;1438

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-叔丁基-1,2-二甲氧基苯 在 1,3-二甲基-2-咪唑啉酮 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 正庚烷 、 乙基苯 为溶剂， 反应 12.0h， 以93%的产率得到对叔丁基邻苯二酚
  参考文献：
  名称：

  Sodium Bis(trimethylsilyl)amide and Lithium Diisopropylamide in Deprotection of Alkyl Aryl Ethers:  α-Effect of Silicon

  摘要：

  Removal of methyl, benzyl, and methylene groups from alkyl aryl ethers is among the most popular deprotecting methods in organic synthesis. Alkali organoamides NaN(SiMe3)(2) and LiN(i-Pr)(2), often used as organic bases, have been developed as efficient deprotecting agents. Treatment of aryl methyl ethers with 1.5 equiv of NaN(SiMe3)(2) or LiN(i-Pr)(2) in THF and 1,3-dimethyl-2-imidazolidinone in a sealed tube at 185 degrees C produced the corresponding phenol derivatives in good to excellent yields (80-97%). Removal of the methylene unit from benzodioxole derivatives was also accomplished by use of 2.5 equiv of these alkali organoamides. The corresponding catechols were obtained in 93-99% yields. The activity of NaN(SiMe3)(2) was proven lower than that of LiN(i-Pr)(2); it is due to the steric congestion and the alpha-stabilizing effect of the silyl groups. Thus selective mono-O-demethylation of o-dimethoxybenzenes can be achieved by the use of NaN(SiMe3)(2) but not LiN(i-Pr)(2). O-Debenzylation of aryl benzyl ethers, however, can be accomplished by the use of LiN(i-Pr)(2).

  DOI：

  10.1021/jo961191k
• 作为产物：
  描述：

  1-benzyloxy-4-tert-butyl-2-methoxy-benzene 在 kieselguhr 、 镍 、 正戊烷 作用下， 20.0 ℃ 、3.43 MPa 条件下， 生成 4-叔丁基-1,2-二甲氧基苯
  参考文献：
  名称：

  The Butylation of Guaiacol

  摘要：

  DOI：

  10.1021/ja01138a047

文献信息

• Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20150231142A1

  公开（公告）日：2015-08-20

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及含有上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• Nickel-Catalyzed Kumada Reaction of Tosylalkanes with Grignard Reagents to Produce Alkenes and Modified Arylketones
  作者：Ji-Cheng Wu、Lu-Bing Gong、Yuanzhi Xia、Ren-Jie Song、Ye-Xiang Xie、Jin-Heng Li

  DOI：10.1002/anie.201205969

  日期：2012.9.24

  Open a new door: The first example of alkene synthesis from alkyl electrophiles with Grignard reagents using the Kumada cross‐coupling reaction strategy is reported. This method opens a new door for the Kumada cross‐coupling reaction, allowing alkenes to be prepared from the reaction of tosylalkanes with Grignard reagents.

  打开新的大门：报道了第一个使用亲子交联反应策略，使用格氏试剂从烷基亲电试剂合成烯烃的实例。该方法为Kumada交叉偶联反应打开了新的大门，使甲苯基烷烃与格氏试剂的反应可以制备烯烃。
• COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES
  申请人：Van Goor Fredrick F.

  公开号：US20110098311A1

  公开（公告）日：2011-04-28

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及包含上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• Direct Synthesis of Hydroquinones from Quinones through Sequential and Continuous‐Flow Hydrogenation‐Derivatization Using Heterogeneous Au–Pt Nanoparticles as Catalysts
  作者：Hiroyuki Miyamura、Fumiya Tobita、Aya Suzuki、Shū Kobayashi

  DOI：10.1002/anie.201904159

  日期：2019.7

  Pt–Au bimetallic nanoparticle catalysts immobilized on dimethyl polysilane (Pt–Au/(DMPSi‐Al2O3)) have been developed for selective hydrogenation of quinones to hydroquinones. High reactivity, selectivity, and robustness of the catalysts were confirmed under continuous‐flow conditions. Various direct derivatizations of quinones, such as methylation, acetylation, trifluoromethanesulfonylation, methacrylation

  固定在二甲基聚硅烷上的Pt-Au双金属纳米颗粒催化剂（Pt-Au /（DMPSi-Al 2 O 3））已开发用于将醌选择性加氢为对苯二酚。在连续流动条件下证实了催化剂的高反应活性，选择性和坚固性。在连续和连续流动条件下成功进行了醌的各种直接衍生化反应，例如甲基化，乙酰化，三氟甲磺酰化，甲基丙烯酸化和苯甲酰化，以良好的产率提供了所需的产品，甚至具有优异的收率。尤其是，对空气敏感的氢醌，如蒽氢醌和萘氢醌，可以在封闭的连续和连续流动条件下成功生成并衍生化而不会分解。
• Modulators of ATP-binding cassette transporters
  申请人：Hadida Ruah S. Sara

  公开号：US20080009524A1

  公开（公告）日：2008-01-10

  Compounds of the present invention and pharmaceutically acceptable compositions thereof, are useful as modulators of ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator (“CFTR”). The present invention also relates to methods of treating ABC transporter mediated diseases using compounds of the present invention.

  本发明的化合物及其药学上可接受的组合物，可用作调节ATP结合盒（“ABC”）转运蛋白或其片段的工具，包括囊性纤维化跨膜传导调节蛋白（“CFTR”）。本发明还涉及使用本发明的化合物治疗ABC转运蛋白介导的疾病的方法。