1-hydroxy-3,8-dimethyl-xanthen-9-one | 92697-27-3

• 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: 1-hydroxy-3,8-dimethyl-xanthen-9-one
• 英文别名: 1-Hydroxy-3,8-dimethyl-xanthon；1-Hydroxy-3,8-dimethylxanthen-9-one；1-hydroxy-3,8-dimethylxanthen-9-one
• CAS: 92697-27-3
• 化学式: C₁₅H₁₂O₃
• 分子量: 240.258
• InChiKey: KQNHZMYDYYWWPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-hydroxy-3,8-dimethyl-xanthen-9-one 、 硫酸二甲酯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 8.0h， 以85%的产率得到1-methoxy-3,8-dimethyl-9-xanthenone
  参考文献：
  名称：

  Synthetic studies towards the benzophenone precursor for balanol

  摘要：

  Synthesis of 4-carboxy-2,6-dimethoxyphenyl 2'-carboxy-6'-methoxyphenyl ketone, an important precursor for balanol's benzophenone portion, has been achieved via a short and efficient route in three steps using ortho-lithiation as the key step. In another approach aromatization of 2-(2'-methoxy-6'-methylbenzoyl)-5-methyl-1,3-cyclohexanedione afforded benzophenone precursor 2,6-dimethoxy-4-methylphenyl 2'-methoxy-6'-methylphenyl ketone along with the formation of substituted xanthone. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.12.029
• 作为产物：
  描述：

  2-甲氧基-6-甲基苯甲酰氯 在 mercury(II) diacetate 、 sodium acetate 、 四氯化锡 、 溶剂黄146 、 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 2.0h， 生成 1-hydroxy-3,8-dimethyl-xanthen-9-one
  参考文献：
  名称：

  Synthetic studies towards the benzophenone precursor for balanol

  摘要：

  Synthesis of 4-carboxy-2,6-dimethoxyphenyl 2'-carboxy-6'-methoxyphenyl ketone, an important precursor for balanol's benzophenone portion, has been achieved via a short and efficient route in three steps using ortho-lithiation as the key step. In another approach aromatization of 2-(2'-methoxy-6'-methylbenzoyl)-5-methyl-1,3-cyclohexanedione afforded benzophenone precursor 2,6-dimethoxy-4-methylphenyl 2'-methoxy-6'-methylphenyl ketone along with the formation of substituted xanthone. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.12.029

文献信息

• Synthetic studies towards the benzophenone precursor for balanol
  作者：Mahesh L Patil、Vishnu H Deshpande、S Ramlingam、Hanumant B Borate

  DOI：10.1016/j.tet.2003.12.029

  日期：2004.2

  Synthesis of 4-carboxy-2,6-dimethoxyphenyl 2'-carboxy-6'-methoxyphenyl ketone, an important precursor for balanol's benzophenone portion, has been achieved via a short and efficient route in three steps using ortho-lithiation as the key step. In another approach aromatization of 2-(2'-methoxy-6'-methylbenzoyl)-5-methyl-1,3-cyclohexanedione afforded benzophenone precursor 2,6-dimethoxy-4-methylphenyl 2'-methoxy-6'-methylphenyl ketone along with the formation of substituted xanthone. (C) 2003 Elsevier Ltd. All rights reserved.