4-乙基-2-甲氧基-6-甲基苯酚 | 120550-70-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 4-乙基-2-甲氧基-6-甲基苯酚
• 英文名称: 4-ethyl-6-methylguaiacol
• 英文别名: 4-Ethyl-2-methoxy-6-methylphenol
• CAS: 120550-70-1
• 化学式: C₁₀H₁₄O₂
• 分子量: 166.22
• InChiKey: YXJGWDBCRDWHLV-UHFFFAOYSA-N

物化性质

• 沸点：
  262.4±35.0 °C(Predicted)
• 密度：
  1.032±0.06 g/cm3(Predicted)
• 保留指数：
  1359.9;1359.7

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  甲醇 、 4-乙基-2-甲氧基-6-甲基苯酚 在 potassium tert-butylate 、 氧气 作用下， 60.0 ℃ 、100.0 kPa 条件下， 以60 %的产率得到2-methoxy-4-(1-methoxyethyl)-6-methylphenol
  参考文献：
  名称：

  通过苄基 C(sp3)–H 键与醇的有氧交叉脱氢偶联，无过渡金属获得苄基醚

  摘要：

  我们开发了一种实用的 KO t Bu 或 KOH 催化的苄基 C(sp 3 )–H 键与各种醇的有氧交叉脱氢偶联，利用分子氧作为唯一氧化剂。这种无过渡金属和化学氧化剂的方法可以实现苄基C(sp 3 )–H键的直接和选择性烷氧基化，特别是容易发生过度氧化的初级苄基C–H键。此外，有氧氧化C-H/O-H交叉偶联方法为在温和反应条件下构建具有高化学选择性的苄基醚提供了一条实用且可持续的途径。

  DOI：

  10.1039/d3gc04070d
• 作为产物：
  描述：

  5-ethyl-2-hydroxy-3-methoxybenzaldehyde 在 盐酸 、 amalgamated zinc 作用下， 生成 4-乙基-2-甲氧基-6-甲基苯酚
  参考文献：
  名称：

  Tobacco Smoke Chemistry. 2. Alkyl and Alkenyl Substituted Guaiacols Found in Cigarette Smoke Condensate.

  摘要：

  A series of alkyl and alkenyl substituted guaiacols, which comprise a group of biologically and organoleptically active compounds, have been synthesized. Mass spectra and GC retention times for these have been recorded and compared with those obtained for constituents of a weakly acidic fraction of smoke condensate derived from American blend type cigarettes. On the basis of these results, 25 guaiacols have been identified, 18 of which have not been detected in tobacco smoke condensate previously.

  DOI：

  10.3891/acta.chem.scand.43-0044

文献信息

• POLYCYCLIC COMPOUNDS AND METHODS RELATED THERETO
  申请人：Chavez Kathryn J.

  公开号：US20110275708A1

  公开（公告）日：2011-11-10

  The invention relates to a novel compound of formula I or pharmaceutically acceptable salts thereof as well as pharmaceutical, nutraceutical, and botanical drug compositions and therapeutic methods related thereto. In certain embodiments, the compounds are used for the treatment of abnormal cell growth, hyperproliferative disorders, and inflammatory diseases in mammals. In other embodiments, the invention encompasses methods to isolate and synthesize the compounds.
• Tobacco Smoke Chemistry. 2. Alkyl and Alkenyl Substituted Guaiacols Found in Cigarette Smoke Condensate.
  作者：Jan Arnarp、Jacek Bielawski、Britt-Marie Dahlin、Olof Dahlman、Curt R. Enzell、Tore Pettersson、A. M. Mulichak、Tomas Alminger、Magnus Erickson、Inger Grundevik、Inger Hagin、Kurt-Jürgen Hoffman、Svante Johansson、Sam Larsson、Ingalil Löfberg、Kristina Ohlson、Björn Persson、Inger Skånberg、Lija Tekenbergs-Hjelte

  DOI：10.3891/acta.chem.scand.43-0044

  日期：——

  A series of alkyl and alkenyl substituted guaiacols, which comprise a group of biologically and organoleptically active compounds, have been synthesized. Mass spectra and GC retention times for these have been recorded and compared with those obtained for constituents of a weakly acidic fraction of smoke condensate derived from American blend type cigarettes. On the basis of these results, 25 guaiacols have been identified, 18 of which have not been detected in tobacco smoke condensate previously.
• Transition-metal-free access to benzyl ethers <i>via</i> aerobic cross-dehydrogenative coupling of benzylic C(sp³)–H bonds with alcohols
  作者：Xiao Zhang、Wenjie Li、Yang Yu、Min Luo、Hua Bai、Lei Shi、Hao Li

  DOI：10.1039/d3gc04070d

  日期：——

  cross-dehydrogenative coupling of benzylic C(sp3)–H bonds with various alcohols utilizing molecular oxygen as the sole oxidant. This transition-metal-free and chemical-oxidant-free methodology could enable direct and selective alkoxylation of benzylic C(sp3)–H bonds, especially the primary benzylic C–H bond, which is prone to undergo overoxidation. Moreover, the aerobic oxidative C–H/O–H cross-coupling

  我们开发了一种实用的 KO t Bu 或 KOH 催化的苄基 C(sp 3 )–H 键与各种醇的有氧交叉脱氢偶联，利用分子氧作为唯一氧化剂。这种无过渡金属和化学氧化剂的方法可以实现苄基C(sp 3 )–H键的直接和选择性烷氧基化，特别是容易发生过度氧化的初级苄基C–H键。此外，有氧氧化C-H/O-H交叉偶联方法为在温和反应条件下构建具有高化学选择性的苄基醚提供了一条实用且可持续的途径。