3-(2-oxopropyl)-6,8-dimethoxy-2-methyl-1,4-napthoquinone | 260790-55-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-(2-oxopropyl)-6,8-dimethoxy-2-methyl-1,4-napthoquinone
• 英文别名: 2-acetonyl-5,7-dimethoxy-3-methyl-1,4-naphthoquinone；3-acetonyl-6,8-dimethoxy-2-methyl-1,4-naphthoquinone；nectriaquinone A；5,7-Dimethoxy-3-methyl-2-(2-oxopropyl)naphthalene-1,4-dione
• CAS: 260790-55-4
• 化学式: C₁₆H₁₆O₅
• 分子量: 288.3
• InChiKey: DDMZZZJRERPGLY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(2-oxopropyl)-6,8-dimethoxy-2-methyl-1,4-napthoquinone 在 N-溴代丁二酰亚胺(NBS) 、 氨 、 过氧化苯甲酰 作用下， 以 四氯化碳 、 乙醇 、 水 为溶剂， 反应 78.0h， 生成 7,9-dimethoxy-3-methylbenzoisoquinoline-5,10-quinone
  参考文献：
  名称：

  Synthesis of Two Naphthoquinone Antibiotics, Dehydroherbarin and 6-Deoxybostrycoidin

  摘要：

  The synthesis of two naphthoquinone antibiotics, dehydroherbarin (7) and 6-deoxybostrycoidin (5), was accomplished by reaction of 3-acetonyl-2-bromomethyl-6,8-dimethoxy-1,4-naphthoquinone (23) with either triethylamine or ammonia, respectively. This is the first report on their synthesis.

  DOI：

  10.1021/jo990676g
• 作为产物：
  描述：

  8-hydroxy-6-methoxy-2-methyl-1,4-naphthoquinone 在 三乙胺 、 silver(l) oxide 作用下， 以 氯仿 、 乙腈 为溶剂， 反应 256.0h， 生成 3-(2-oxopropyl)-6,8-dimethoxy-2-methyl-1,4-napthoquinone
  参考文献：
  名称：

  Synthesis of Two Naphthoquinone Antibiotics, Dehydroherbarin and 6-Deoxybostrycoidin

  摘要：

  The synthesis of two naphthoquinone antibiotics, dehydroherbarin (7) and 6-deoxybostrycoidin (5), was accomplished by reaction of 3-acetonyl-2-bromomethyl-6,8-dimethoxy-1,4-naphthoquinone (23) with either triethylamine or ammonia, respectively. This is the first report on their synthesis.

  DOI：

  10.1021/jo990676g

文献信息

• Synthesis of Two Naphthoquinone Antibiotics, Dehydroherbarin and 6-Deoxybostrycoidin
  作者：Bart Kesteleyn、Norbert De Kimpe

  DOI：10.1021/jo990676g

  日期：2000.2.1

  The synthesis of two naphthoquinone antibiotics, dehydroherbarin (7) and 6-deoxybostrycoidin (5), was accomplished by reaction of 3-acetonyl-2-bromomethyl-6,8-dimethoxy-1,4-naphthoquinone (23) with either triethylamine or ammonia, respectively. This is the first report on their synthesis.