4-tert.-Butyl-2-ethylanisol | 65276-18-8

• 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: 4-tert.-Butyl-2-ethylanisol
• 英文别名: 4-Tert-butyl-2-ethyl-1-methoxybenzene
• CAS: 65276-18-8
• 化学式: C₁₃H₂₀O
• 分子量: 192.301
• InChiKey: ALKGFSYAZQOFKY-UHFFFAOYSA-N

物化性质

• 沸点：
  83-85 °C(Press: 3 Torr)
• 密度：
  0.903±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 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：

  4-叔丁基茴香醚 在 盐酸 作用下， 以 乙醚 为溶剂， 生成 4-tert.-Butyl-2-ethylanisol
  参考文献：
  名称：

  Studies on selective preparation of aromatic compounds. 15. The Lewis acid catalyzed transalkylation of some tert-butyldiphenylmethanes and -ethanes in aromatic solvents

  摘要：

  DOI：

  10.1021/jo00401a027

文献信息

• 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。
• Synergistic Brønsted/Lewis acid catalyzed aromatic alkylation with unactivated tertiary alcohols or di-<i>tert</i>-butylperoxide to synthesize quaternary carbon centers
  作者：Aaron Pan、Maja Chojnacka、Robert Crowley、Lucas Göttemann、Brandon E. Haines、Kevin G. M. Kou

  DOI：10.1039/d1sc06422c

  日期：——

  Dual Brønsted/Lewis acid catalysis involving environmentally benign, readily accessible protic acid and iron promotes site-selective tert-butylation of electron-rich arenes using di-tert-butylperoxide. This transformation inspired the development of a synergistic Brønsted/Lewis acid catalyzed aromatic alkylation that fills a gap in the Friedel–Crafts reaction literature by employing unactivated tertiary

  涉及环境友好、易于获得的质子酸和铁的双布朗斯台德/路易斯酸催化促进使用二叔丁基过氧化物对富电子芳烃进行位点选择性叔丁基化。这一转变激发了协同布朗斯台德/路易斯酸催化芳族烷基化的发展，该烷基化通过使用未活化的叔醇作为烷基化剂，从而产生新的季碳中心，从而填补了弗里德尔-克来福特反应文献中的空白。通过 DFT 计算证实，路易斯酸具有增强布朗斯台德酸酸度的作用。非烯丙基、非苄基和非炔丙基叔醇的使用代表了弗里德尔-克拉夫茨反应性中尚未开发的领域。
• COMBINATION 059
  申请人：SMITH Paul David

  公开号：US20090099174A1

  公开（公告）日：2009-04-16

  This invention relates to a combination product, as defined herein, comprising a MEK inhibitor and a mTOR-selective inhibitor, and to methods for the production of an anti-cancer effect in a patient, which is accordingly useful in the treatment of cancer in a patient. More specifically the present invention relates to; a combination product, as defined herein, comprising a MEK inhibitor and a mTOR-selective inhibitor; a combination product, as defined herein, comprising a kit of parts comprising a MEK inhibitor and a mTOR-selective inhibitor; use of the combination product, as defined herein, in the treatment of cancer; a method of treating cancer comprising administering the combination product, as defined herein, to a patient. The combination product, as defined herein, and methods of the invention are also useful in the treatment of other diseases associated with the activity of MEK, and/or mTOR.

  本发明涉及一种组合产品，其定义为包括MEK抑制剂和mTOR选择性抑制剂，并且涉及在患者中产生抗癌效果的方法，因此在治疗患者的癌症方面非常有用。更具体地，本发明涉及：一种组合产品，其定义为包括MEK抑制剂和mTOR选择性抑制剂；一种组合产品，其定义为包括MEK抑制剂和mTOR选择性抑制剂的组件套件；使用此组合产品在癌症治疗中的方法；一种治疗癌症的方法，包括向患者投与此组合产品。此组合产品和本发明的方法也适用于治疗与MEK和/或mTOR活性相关的其他疾病。
• Cetp Inhibitors
  申请人：Ali Amjad

  公开号：US20070225365A1

  公开（公告）日：2007-09-27

  Compounds of Formula I, including pharmaceutically acceptable salts of the compounds, are CETP inhibitors, and are useful for raising HDL-cholesterol, reducing LDL-cholesterol, and for treating or preventing atherosclerosis. In the compounds of Formula 1, A 1 and A 2 are each an aromatic ring, a 5-6-membered heterocyclic ring, an aromatic ring fused to a heterocyclic ring, a phenyl ring fused to a heterocyclic ring, or a cycloalkyl ring.

  公式I的化合物，包括化合物的药物可接受盐，是CETP抑制剂，可用于提高HDL-胆固醇，降低LDL-胆固醇，并用于治疗或预防动脉硬化。在公式1的化合物中，A1和A2分别是芳香环，5-6成员杂环环，芳香环与杂环环融合，苯环与杂环环融合或环状烷基。
• Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors
  申请人：Hummersone Marc Geoffrey

  公开号：US20080194546A1

  公开（公告）日：2008-08-14

  There is provided a compound of formula I: wherein: one or two of X 5 , X 6 and X 8 is N, and the others are CH; R 7 is selected from halo, OR O1 , SR S1 , NR N1 R N2 , NR N7a C(═O)R C1 , NR N7b SO 2 R S2a , an optionally substituted C 5-20 heteroaryl group, or an optionally substituted C 5-20 aryl group, where R O1 and R S1 are selected from H, an optionally substituted C 5-20 aryl group, an optionally substituted C 5-20 heteroaryl group, or an optionally substituted C 1-7 alkyl group; R N1 and R N2 are independently selected from H, an optionally substituted C 1-7 alkyl group, an optionally substituted C 5-20 heteroaryl group, an optionally substituted C 5-20 aryl group or R N1 and R N2 together with the nitrogen to which they are bound form a heterocyclic ring containing between 3 and 8 ring atoms; R C1 is selected from H, an optionally substituted C 5-20 aryl group, an optionally substituted C 5-20 heteroaryl group, an optionally substituted C 1-7 alkyl group or NR N8 R N9 , where R N8 and R N9 are independently selected from H, an optionally substituted C 1-7 alkyl group, an optionally substituted C 5-20 heteroaryl group, an optionally substituted C 5-20 aryl group or R N8 and R N9 together with the nitrogen to which they are bound form a heterocyclic ring containing between 3 and 8 ring atoms; R S2a is selected from H, an optionally substituted C 5-20 aryl group, an optionally substituted C 5-20 heteroaryl group, or an optionally substituted C 1-7 alkyl group; R N7a and R N7b are selected from H and a C 1-4 alkyl group; R N3 and R N4 , together with the nitrogen to which they are bound, form a heterocyclic ring containing between 3 and 8 ring atoms; R 2 is selected from H, halo, OR O2 , SR S2b , NR N5 R N6 , an optionally substituted C 5-20 heteroaryl group, and an optionally substituted C 5-20 aryl group, wherein R O2 and R S2b are selected from H, an optionally substituted C 5-20 aryl group, an optionally substituted C 5-20 heteroaryl group, or an optionally substituted C 1-7 alkyl group; R N5 and R N6 are independently selected from H, an optionally substituted C 1-7 alkyl group, an optionally substituted C 5-20 heteroaryl group, and an optionally substituted C 5-20 aryl group, or R N5 and R N6 together with the nitrogen to which they are bound form a heterocyclic ring containing between 3 and 8 ring atoms, or a pharmaceutically acceptable salt thereof, with the proviso that when R 2 is unsubstituted morpholino. R N3 and R N4 together with the nitrogen atom to which they are attached form an unsubstituted morpholino and R 7 is unsubstituted phenyl, and X 5 is CH, then X 6 is not N and X 8 is not CH, or X 6 is not CH and X 8 is not N, and when R 2 is unsubstituted piperidinyl, R N3 and R N4 together with the nitrogen atom to which they are attached form an unsubstituted piperidinyl and R 7 is unsubstituted phenyl, and X 5 is CH, then X 6 is not CH and X is not N. There are also provided processes for the manufacture of a compound of Formula 1, and the use of a compound of Formula 1 as a medicament and in the treatment of cancer.

  提供了一种化合物，其化学式为I：其中：X5、X6和X8中的一个或两个是N，其余为CH；R7选自卤素、ORO1、SRS1、NRN1RN2、NRN7aC（═O）RC1、NRN7bSO2RS2a、可选取代的C5-20杂环芳基基团或可选取代的C5-20芳基基团，其中RO1和RS1选自H、可选取代的C5-20芳基基团、可选取代的C5-20杂环芳基基团或可选取代的C1-7烷基基团；RN1和RN2独立选自H、可选取代的C1-7烷基基团、可选取代的C5-20杂环芳基基团、可选取代的C5-20芳基基团或RN1和RN2与它们所连接的氮原子一起形成含有3至8个环原子的杂环环；RC1选自H、可选取代的C5-20芳基基团、可选取代的C5-20杂环芳基基团、可选取代的C1-7烷基基团或NRN8RN9，其中RN8和RN9独立选自H、可选取代的C1-7烷基基团、可选取代的C5-20杂环芳基基团、可选取代的C5-20芳基基团或RN8和RN9与它们所连接的氮原子一起形成含有3至8个环原子的杂环环；RS2a选自H、可选取代的C5-20芳基基团、可选取代的C5-20杂环芳基基团或可选取代的C1-7烷基基团；RN7a和RN7b选自H和C1-4烷基基团；RN3和RN4与它们所连接的氮原子一起形成含有3至8个环原子的杂环环；R2选自H、卤素、ORO2、SRS2b、NRN5RN6、可选取代的C5-20杂环芳基基团和可选取代的C5-20芳基基团，其中RO2和RS2b选自H、可选取代的C5-20芳基基团、可选取代的C5-20杂环芳基基团或可选取代的C1-7烷基基团；RN5和RN6独立选自H、可选取代的C1-7烷基基团、可选取代的C5-20杂环芳基基团和可选取代的C5-20芳基基团，或RN5和RN6与它们所连接的氮原子一起形成含有3至8个环原子的杂环环，或其药学上可接受的盐，但当R2为未取代的吗啡啶基时，RN3和RN4与它们所连接的氮原子一起形成未取代的吗啡啶基，R7为未取代的苯基，且X5为CH时，X6不是N且X8不是CH，或X6不是CH且X8不是N，当R2为未取代的哌啶基时，RN3和RN4与它们所连接的氮原子一起形成未取代的哌啶基，R7为未取代的苯基，且X5为CH时，X6不是CH且X不是N。还提供了制造化合物I的方法，以及将化合物I用作药物治疗癌症的用途。