S-夫罗曲坦 | 158930-18-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: S-夫罗曲坦
• 中文别名: (S)-3-(甲基氨基)-2,3,4,9-四氢-1H-咔唑-6-甲酰胺
• 英文名称: ent-Frovatriptan
• 英文别名: (6S)-6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
• CAS: 158930-18-8
• 化学式: C₁₄H₁₇N₃O
• 分子量: 243.3
• InChiKey: XPSQPHWEGNHMSK-VIFPVBQESA-N

物化性质

• 沸点：
  515.2±50.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)
• 溶解度：
  甲醇（微溶）、水（微溶）

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  70.9
• 氢给体数：
  3
• 氢受体数：
  2

文献信息

• [EN] PROCESS FOR THE PREPARATION OF FROVATRIPTAN AND ITS ENANTIOMER<br/>[FR] PROCÉDÉ DE PRÉPARATION DU FROVATRIPTAN ET DE SON ÉNANTIOMÈRE
  申请人：DUKE CHEM S A

  公开号：WO2014202717A1

  公开（公告）日：2014-12-24

  Process for the preparation of frovatriptan and its enantiomer It relates to the compounds of formula [II-(R,S)] and formula [II-(S,R)], and to a process for their preparation which comprises: a) reacting an enantiomeric mixture containing a compound of formula [I-(R)] and a compound of formula [I-(S)] with a chiral agent in the presence of a solventmixture; b) isolating the compound of formula [II-(R,S)] or, alternatively, the compound of formula [II-(S,R)] from the corresponding diastereomericmixture; and c) optionally purifying them. It also relates to a process for the preparation of frovatriptan and its enantiomer from a compound of formula [II-(R,S)] or a compound of formula [II-(S,R)] respectively.

  制备frovatriptan及其对映体的过程涉及到化合物的公式[II-(R,S)]和公式[II-(S,R)]，以及制备它们的过程包括：a)在溶剂混合物的存在下，将含有公式[I-(R)]化合物和公式[I-(S)]化合物的对映体混合物与手性试剂反应；b)从相应的不对映异构体混合物中分离出公式[II-(R,S)]或者公式[II-(S,R)]化合物；c)可选地对其进行纯化。还涉及从公式[II-(R,S)]化合物或公式[II-(S,R)]化合物分别制备frovatriptan及其对映体的过程。
• Process for the preparation of frovatriptan and its enantiomer
  申请人：Duke Chem, S. A.

  公开号：EP2816030A1

  公开（公告）日：2014-12-24

  It relates to the compounds of formula [II-(R,S)] and formula [II-(S,R)], and to a process for their preparation which comprises: a) reacting an enantiomeric mixture containing a compound of formula [I-(R)] and a compound of formula [I-(S)] with a chiral agent in the presence of a solvent mixture; b) isolating the compound of formula [II-(R,S)] or, alternatively, the compound of formula [II-(S,R)] from the corresponding diastereomeric mixture; and c) optionally purifying them. It also relates to a process for the preparation of frovatriptan and its enantiomer from a compound of formula [II-(R,S)] or a compound of formula [II-(S,R)] respectively.

  这涉及到公式[II-(R,S)]和公式[II-(S,R)]的化合物，以及它们的制备方法，包括：a)在溶剂混合物的存在下，将包含公式[I-(R)]化合物和公式[I-(S)]化合物的对映异构体混合物与手性试剂反应；b)从相应的对映异构体混合物中分离出公式[II-(R,S)]化合物或者公式[II-(S,R)]化合物；c)可选地对它们进行纯化。还涉及到从公式[II-(R,S)]化合物或公式[II-(S,R)]化合物中制备frovatriptan及其对映体的方法。