methyl 2,6-dihydroxy-3,5-dimethylbenzoate

• 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: methyl 2,6-dihydroxy-3,5-dimethylbenzoate
• 化学式: C₁₀H₁₂O₄
• 分子量: 196.203
• InChiKey: UNIABGIIHFGDCL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  methyl 3,7-dioxo-2-diazo-4-methyl-(E)-oct-5-enoate 在 sodium hydroxide 作用下， 以 DCE 、 水 为溶剂， 反应 2.0h， 以76 mg的产率得到methyl 2,6-dihydroxy-3,5-dimethylbenzoate
  参考文献：
  名称：

  Pericyclic Reaction of a Zwitterionic Salt of an Enedione-diazoester. A Novel Strategy for the Synthesis of Highly Functionalized Resorcinols

  摘要：

  Enedione-diazoesters formed from 3-TBSO-2-diazo-3-butenoates undergo base-catalyzed pericyclization that with dinitrogen extrusion and methyl migration provide a novel and efficient route to 2-carboalkoxyresorcinols. Intercepting the intermediate enolate anion with methyl vinyl ketone leads to the corresponding 4-substituted 2-carboalkoxyresorcinol and suggests generalization of this methodology.

  DOI：

  10.1021/ol101744h

文献信息

• Isolation of Atraric Acid, Synthesis of Atraric Acid Derivatives, and Use of Atraric Acid and the Derivatives Thereof for the Treatment of Benign Prostatic Hyperplasia, Prostate Carcinoma and Spinobulbar Muscular Atrophy
  申请人：Hoffmann Hans-Rainer

  公开号：US20090143466A1

  公开（公告）日：2009-06-04

  A method for isolating atraric acid from biological material, atraric acid derivatives, the chemical synthesis thereof, and the use of atraric acid and the derivatives thereof for treating or producing a medicament for treating benign prostate hyperplasia, prostate carcinoma or spinobulbar muscular atrophy is provided. In addition, a basic substance for the development of other agents used for treating benign prostate hyperplasia, prostate carcinoma, or spinobulbar muscular atrophy is provided.
• US8481519B2
  申请人：——

  公开号：US8481519B2

  公开（公告）日：2013-07-09