2-甲氧基-1-(甲氧基甲氧基)-4-甲基苯 | 72791-83-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-甲氧基-1-(甲氧基甲氧基)-4-甲基苯
• 英文名称: 2-methoxy-1-methoxymethoxy-4-methylbenzene
• 英文别名: 1-Methoxymethoxy-2-methoxy-4-methylbenzol；2-Methoxy-1-(methoxymethoxy)-4-methylbenzene
• CAS: 72791-83-4
• 化学式: C₁₀H₁₄O₃
• 分子量: 182.219
• InChiKey: RKBPKOZAHPEEPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-甲氧基-1-(甲氧基甲氧基)-4-甲基苯 在 盐酸 、 正丁基锂 、 potassium carbonate 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 、 正己烷 、 丙酮 为溶剂， 反应 48.0h， 生成 ethyl 2-(7-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-yl)acetate
  参考文献：
  名称：

  Weeratunga, Gamini; Jaworska-Sobiesiak, Alina; Horne, Stephen, Canadian Journal of Chemistry, 1987, vol. 65, p. 2019 - 2023

  摘要：

  DOI：
• 作为产物：
  描述：

  Potassium; 2-methoxy-4-methyl-phenolate 以82%的产率得到
  参考文献：
  名称：

  Zhao Cun-xiang, Ma Jianbiao, Huaxue shiji (Chem. Reagents), 15 (1993) N 5, S 308-309

  摘要：

  DOI：

文献信息

• The<i>O</i>-substitution Pattern of the MoCl₅-Mediated Oxidative Aryl-Aryl Coupling Reaction
  作者：Siegfried R. Waldvogel、Beate Kramer、Roland Fröhlich、Klaus Bergander

  DOI：10.1055/s-2003-36264

  日期：——

  Different protective groups for the phenolic oxygen were investigated in the molybdenum pentachloride-mediated dehydro-dimerization reaction. Cyclic acetals and ketals, triisopropylsilyl and alkoxycarbonylmethyl moieties are compatible with the strong acidic reaction conditions.

  在五氯化钼介导的脱氢二聚反应中，研究了不同酚羟基保护基团的适用性。环状缩醛、缩酮、三异丙基硅烷基和烷氧羰基甲基保护基团能够耐受强酸性的反应条件。
• COMPOUNDS, THEIR SYNTHESES, AND THIER USES
  申请人：Hammond Gerald B.

  公开号：US20110190325A1

  公开（公告）日：2011-08-04

  Embodiments of the present invention provide compounds (such as Formula (I) compounds, Formula (II) compounds, and various embodiments thereof). Compositions comprising those compounds are also provided. Methods for their preparation are included. Also, uses of the compounds are included, such as administering and treating diseases (e.g., cancer and infections).

  本发明实施例提供化合物（例如公式（I）化合物、公式（II）化合物及其各种实施例）。还提供包含这些化合物的组合物。其中包括它们的制备方法。此外，还包括这些化合物的用途，例如用于治疗疾病（例如癌症和感染）的给药和治疗。
• Synthesis, Resolution, and Biological Evaluation of Atropisomeric (a<i>R</i>)- and (a<i>S</i>)-16-Methyllamellarins N: Unique Effects of the Axial Chirality on the Selectivity of Protein Kinases Inhibition
  作者：Kenyu Yoshida、Ryosuke Itoyama、Masashi Yamahira、Junji Tanaka、Nadège Loaëc、Olivier Lozach、Emilie Durieu、Tsutomu Fukuda、Fumito Ishibashi、Laurent Meijer、Masatomo Iwao

  DOI：10.1021/jm400719y

  日期：2013.9.26

  The total synthesis of the optically active (aR)- and (aS)-16-methyllamellarins N (3a and 3b) was achieved via resolution on HPLC chiral stationary phase. The kinase inhibitory activities of both enantiomers were evaluated on eight protein Icinases relevant to cancer and neurodegenerative diseases (CDKI/cyclin B, CDK2/cyclin A, CDK5/p25, GSK-3 alpha/beta, PIM1, DYRK1A, CLIO, and CK1). Isomer (aR)-3b exhibited potent but nonselective inhibition on all protein kinases except CK1, while (aS)-3a selectively inhibited only GSK-3 alpha/beta, PIM1, and DYRKIA. The different inhibition profiles of (aS)-3a and (aR)-3b were elucidated by docking simulation studies. Although parental lamellarin N (2) inhibited the action of topoisomerase I, both (aS)-3a and (aR)-3b showed no inhibition of this enzyme. The phenotypic scytotoxic activities of 2, (aS)-3a, and (aR)-3b on three cancer cell lines (HeLa, SH-SYSY, and IMR32) changed according to their topoisomerase I and protein kinase inhibitory activities.
• Hase,T.A. et al., Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1979, vol. 33, p. 587 - 589
  作者：Hase,T.A. et al.

  DOI：——

  日期：——
• WEERATUNGAJ, GAMINI;JAWORSKA-SOBIESIAK, ALINA;HORNE, STEPHEN;RODRIGO, RUS+, CAN. J. CHEM., 65,(1987) N 9, 2019-2023
  作者：WEERATUNGAJ, GAMINI、JAWORSKA-SOBIESIAK, ALINA、HORNE, STEPHEN、RODRIGO, RUS+

  DOI：——

  日期：——