2-bromo-1-hydroxy-3-methylxanthone | 121360-25-6

• 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-bromo-1-hydroxy-3-methylxanthone
• 英文别名: 1-hydroxy-2-bromo-3-methylxanthone；2-bromo-1-hydroxy-3-methylxanthen-9-one
• CAS: 121360-25-6
• 化学式: C₁₄H₉BrO₃
• 分子量: 305.128
• InChiKey: DNCCVPOLTNCKCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 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：

  2-bromo-1-hydroxy-3-methylxanthone 生成 (2-bromo-3-methyl-9-oxoxanthen-1-yl) acetate
  参考文献：
  名称：

  PATEL, G. N.;VERMA, R. S.;PARDASANI, R. T.;TRIVEDI, K. N., POL. J. CHEM., 62,(1988) N-6, C. 409-416

  摘要：

  DOI：
• 作为产物：
  描述：

  1-hydroxy-3-methyl-9H-xanthen-9-one 在 pyridinium hydrobromide perbromide 作用下， 以 溶剂黄146 为溶剂， 反应 0.5h， 以90%的产率得到2-bromo-1-hydroxy-3-methylxanthone
  参考文献：
  名称：

  Patel, G. N.; Verma, R. S.; Pardasani, R. T., Polish Journal of Chemistry, 1988, vol. 62, # 4-6, p. 409 - 416

  摘要：

  DOI：

文献信息

• Synthesis of Hexacyclic Parnafungin A and C Models
  作者：Quan Zhou、Barry B. Snider

  DOI：10.1021/jo101826p

  日期：2010.12.3

  A convergent, practical route to unstable hexacyclic parnafungin A and C models has been developed. Two iodoxanthones were prepared in four or five steps (33-50% overall yield). Suzuki-Miyaura coupling of the iodoxanthones with excess readily available 3-carbomethoxy-2-nitrophenyl pinacol boronate afforded the hindered highly functionalized 2-arylxanthones (53-58%) in the first key step. In the second key step, zinc reduction gave benzisoxazolinones that were treated with MsCl and then base to generate the unstable hexacyclic parnafungin A (13% overall yield for 8 steps) and C (8% overall yield for 9 steps) models. Analogously to the parnafungins, hexacyclic parnafungin C model decomposes to a phenanthridine with a half-life of 2 d in CDCI3.
• PATEL, G. N.;TRIVEDI, K. N., INDIAN J. CHEM. B., 27,(1988) N 4, C. 376-377
  作者：PATEL, G. N.、TRIVEDI, K. N.

  DOI：——

  日期：——
• Patel, G. N.; Trivedi, K. N., Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1988, vol. 27, # 1-12, p. 376 - 377
  作者：Patel, G. N.、Trivedi, K. N.

  DOI：——

  日期：——