| 1570098-64-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1570098-64-4
• 化学式: C₂₈H₃₄O₄
• 分子量: 434.576
• InChiKey: SPBOWJYAGSTOGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.13
• 重原子数：
  32.0
• 可旋转键数：
  9.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  74.6
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 copper(II) acetate monohydrate 、 manganese(III) triacetate dihydrate 作用下， 以 溶剂黄146 为溶剂， 反应 3.0h， 以25%的产率得到2a1-hydroxy-4,4,12a-trimethyl-11-(3-methylbut-2-en-1-yl)-3,3a,4,11,12,12a-hexahydro-1H-2a,11-methanocyclopenta-[3,4]indeno[1,7a-b]naphthalene-9,10,13(2H,2a1H)-trione
  参考文献：
  名称：

  Biomimetic Total Synthesis of (±)-Doitunggarcinone A and (+)-Garcibracteatone

  摘要：

  A full account of our oxidative radical cyclization approach to the synthesis of garcibracteatone and doitunggarcinone A is presented. This includes the first enantioselective synthesis of garcibracteatone, which allowed the absolute configuration of the natural compound to be determined. The first synthesis of doitunggarcinone A is also described, which confirms our reassignment of the relative configuration of this molecule. Novel syntheses of monoterpene fragments used to construct the target molecules are also reported.

  DOI：

  10.1021/jo500027k
• 作为产物：
  描述：

  2,4,6-三羟基二苯甲酮 在 sodium hydride 、 potassium hydroxide 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.41h， 生成
  参考文献：
  名称：

  Biomimetic Total Synthesis of (±)-Doitunggarcinone A and (+)-Garcibracteatone

  摘要：

  A full account of our oxidative radical cyclization approach to the synthesis of garcibracteatone and doitunggarcinone A is presented. This includes the first enantioselective synthesis of garcibracteatone, which allowed the absolute configuration of the natural compound to be determined. The first synthesis of doitunggarcinone A is also described, which confirms our reassignment of the relative configuration of this molecule. Novel syntheses of monoterpene fragments used to construct the target molecules are also reported.

  DOI：

  10.1021/jo500027k