1,3,5-Tris-[3-(3,5-Dimethylphenoxy)-2-hydroxypropyl]isocyanurate | 2512209-00-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1,3,5-Tris-[3-(3,5-Dimethylphenoxy)-2-hydroxypropyl]isocyanurate
• 英文别名: 1,3,5-tris[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione
• CAS: 2512209-00-4
• 化学式: C₃₆H₄₅N₃O₉
• 分子量: 663.8
• InChiKey: NRPURZAALGXPKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  48
• 可旋转键数：
  15
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  149
• 氢给体数：
  3
• 氢受体数：
  9

文献信息

• METHOD OF PREPARATION OF METAXALONE
  申请人：Iacoangeli Tommaso

  公开号：US20130261160A1

  公开（公告）日：2013-10-03

  The present invention relates to a method of preparation of metaxalone comprising reaction of triglycidyl isocyanurate (TGIC) with m-xylenol, characterized in that said reaction is carried out in a solvent mixture comprising an aprotic polar solvent with dielectric constant greater than or equal to 30 and at least one other solvent selected from the group comprising apolar solvents and aprotic polar solvents with dielectric constant below 30 said solvent mixture comprising from 5 to 40 wt. % of said first solvent and from 95 to 60 wt. % of said second solvent, adding the TGIC at a temperature between 30° C. and 50° C., and after adding the TGIC, raising the temperature of the reaction solution to a value between 80° C. and 180° C. in a time between 120 and 180 minutes at a rate of increase not greater that 1.25° C. per minute. The invention also relates to a metaxalone with a reduced content of impurities derived from incomplete reactions and/or side reactions of the method of production.

  本发明涉及一种制备甲氧索烷的方法，包括将三环氧基异氰酸酯（TGIC）与间二甲苯酚反应，其特征在于所述反应在一个溶剂混合物中进行，该溶剂混合物包括介电常数大于或等于30的无极性极性溶剂和至少一种从无极性溶剂和介电常数低于30的无极性极性溶剂组成的其他溶剂，所述溶剂混合物包括从5%到40%的第一溶剂和从95%到60%的第二溶剂；在30℃到50℃的温度下加入TGIC，加入TGIC后，将反应溶液的温度升高到在120到180分钟内以不大于1.25℃/分钟的速度升高到80℃到180℃之间的值。本发明还涉及一种甲氧索烷，其具有由于不完全反应和/或副反应而产生的杂质含量降低的方法。
• US9416116B2
  申请人：——

  公开号：US9416116B2

  公开（公告）日：2016-08-16