2-{2-[7-Methoxy-2-methyl-chroman-(4E)-ylidene]-ethyl}-2-methyl-cyclopentane-1,3-dione | 929247-26-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 2-{2-[7-Methoxy-2-methyl-chroman-(4E)-ylidene]-ethyl}-2-methyl-cyclopentane-1,3-dione
• 英文别名: 2-[(2E)-2-(7-methoxy-2-methyl-2,3-dihydrochromen-4-ylidene)ethyl]-2-methylcyclopentane-1,3-dione
• CAS: 929247-26-7
• 化学式: C₁₉H₂₂O₄
• 分子量: 314.381
• InChiKey: XOHQEBSXZVYUAN-MDWZMJQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-{2-[7-Methoxy-2-methyl-chroman-(4E)-ylidene]-ethyl}-2-methyl-cyclopentane-1,3-dione 在 吡啶 、 盐酸 、 sodium tetrahydroborate 作用下， 以 1,4-二氧六环 、 甲醇 、 水 为溶剂， 反应 48.0h， 生成 17β-benzoyloxy-3-methoxy-7α-methyl-6-oxaestra-1,3,5(10),8,14-pentaene
  参考文献：
  名称：

  Synthesis of 6-oxaestra-1,3,5(10),8,14-pentaenes

  摘要：

  The Wendler version of the Torgov-Ananchenko scheme of total steroid synthesis was shown to be applicable to the preparation of 6-oxaestra-1,3,5(10),8.14-pentaenes. Conditions for cyclodehydration of seco-steroids thus obtained were found, which ensured isolation of the target compounds in a high yield without using chromatographic purification methods.

  DOI：

  10.1134/s1070428006010076
• 作为产物：
  描述：

  7-methoxy-2-methyl-4-vinyl-chroman-4-ol 生成 2-{2-[7-Methoxy-2-methyl-chroman-(4E)-ylidene]-ethyl}-2-methyl-cyclopentane-1,3-dione
  参考文献：
  名称：

  Synthesis of 6-oxaestra-1,3,5(10),8,14-pentaenes

  摘要：

  The Wendler version of the Torgov-Ananchenko scheme of total steroid synthesis was shown to be applicable to the preparation of 6-oxaestra-1,3,5(10),8.14-pentaenes. Conditions for cyclodehydration of seco-steroids thus obtained were found, which ensured isolation of the target compounds in a high yield without using chromatographic purification methods.

  DOI：

  10.1134/s1070428006010076