3,4-dimethoxy-5-methyl-2-(1-methylethyl)phenol | 132473-90-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 3,4-dimethoxy-5-methyl-2-(1-methylethyl)phenol
• 英文别名: 3,4-Dimethoxy-5-methyl-2-propan-2-ylphenol
• CAS: 132473-90-6
• 化学式: C₁₂H₁₈O₃
• 分子量: 210.273
• InChiKey: QMLXLZWIWJWICM-UHFFFAOYSA-N

物化性质

• 沸点：
  328.4±42.0 °C(Predicted)
• 密度：
  1.039±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 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：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,4-dimethoxy-5-methyl-2-(1-methylethyl)phenol 、 三氟甲烷磺酸甲酯 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 以90%的产率得到2-isopropyl-1,3,4-trimethoxy-5-methylbenzene
  参考文献：
  名称：

  A Rh(II)-catalyzed cycloaddition approach toward the synthesis of komaroviquinone

  摘要：

  Using a rhodium (II)-catalyzed cyclization/cycloaddition sequence as the key reaction step, the icetexane core of komaroviquinone was constructed by an intramolecular dipolar-cycloaddition of a carbonyl ylide dipole across a tethered pi-bond. The ylide was arrived at by cyclization of a rhodium carbenoid intermediate onto a proximal ester group. Efforts toward the preparation of the required precursor for elaboration to the natural product are discussed. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.01.129
• 作为产物：
  描述：

  3,4-dimethoxy-4-(1-methylethenyl)-2-(1-methylethyl)-2-cyclobuten-1-one 以 正己烷 为溶剂， 反应 2.0h， 以0.38 g的产率得到3,4-dimethoxy-5-methyl-2-(1-methylethyl)phenol
  参考文献：
  名称：

  Concise Synthesis of Espintanol and Selected Regioisomeric Analogs

  摘要：

  DOI：

  10.1021/jo960421s

文献信息

• Concise Synthesis of Espintanol and Selected Regioisomeric Analogs
  作者：Craig S. Tomooka、Hui Liu、Harold W. Moore

  DOI：10.1021/jo960421s

  日期：1996.1.1
• A Rh(II)-catalyzed cycloaddition approach toward the synthesis of komaroviquinone
  作者：Albert Padwa、Majid J. Chughtai、Jutatip Boonsombat、Paitoon Rashatasakhon

  DOI：10.1016/j.tet.2008.01.129

  日期：2008.5

  Using a rhodium (II)-catalyzed cyclization/cycloaddition sequence as the key reaction step, the icetexane core of komaroviquinone was constructed by an intramolecular dipolar-cycloaddition of a carbonyl ylide dipole across a tethered pi-bond. The ylide was arrived at by cyclization of a rhodium carbenoid intermediate onto a proximal ester group. Efforts toward the preparation of the required precursor for elaboration to the natural product are discussed. (C) 2008 Elsevier Ltd. All rights reserved.