menadione-7 | 13425-62-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: menadione-7
• 英文别名: MK-7；Vitamin K2-7;Vitamin K2(35);Vitamin MK-7；2-(3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl)-3-methylnaphthalene-1,4-dione
• CAS: 13425-62-2
• 化学式: C₄₆H₆₄O₂
• 分子量: 649.013
• InChiKey: RAKQPZMEYJZGPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.5
• 重原子数：
  48
• 可旋转键数：
  20
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  在 ammonium cerium (IV) nitrate 、 1,2-二(二苯基膦基)乙烷二氯化钯(II) 、 sodium hexamethyldisilazane 、 三乙基硼氢化锂 作用下， 以 四氢呋喃 、 水 、 乙酸乙酯 为溶剂， 反应 3.07h， 生成 menadione-7
  参考文献：
  名称：

  METHOD AND INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF MENAQUINONE MK-7

  摘要：

  The invention relates to a method and intermediate compounds for the preparation of menaquinone MK-7. The method for the preparation of menaquinone MK-7 is characterized in that, it comprises coupling of a compound of formula (11) with a compound of formula (17) in the presence of a base, to obtain a compound of formula (18), which is subjected to desulfonylation reaction in the presence of a palladium catalyst, to obtain a compound of formula (19), which is subjected to oxidation reaction, to obtain menaquinone MK-7. The invention also relates to compound (8), preferably in a crystalline form, which is a convenient intermediate compound for the preparation of menaquinone MK-7.

  公开号：

  US20230250041A1