2,3,5-Trimethyl-1,3-dihydropyrazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: 2,3,5-Trimethyl-1,3-dihydropyrazole
• 英文别名: 2,3,5-trimethyl-1,3-dihydropyrazole
• 化学式: C₆H₁₂N₂
• 分子量: 112.17
• InChiKey: GMGQSVLXMQDSNJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• METHOD FOR PRODUCING 7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE, AND COCRYSTAL OF SAID DERIVATIVE
  申请人：Japan Tobacco, Inc.

  公开号：EP3560931A1

  公开（公告）日：2019-10-30

  The present invention relates to processes for preparing 7H-pyrrolo[2,3-d]pyrimidine derivatives which are useful as a Janus kinase (JAK) inhibitor, co-crystals thereof, processes for preparing the co-crystals, and processes for purifying 7H-pyrrolo[2,3-d]pyrimidine derivatives by employing the co-crystals. The present invention provides, for example, a process for preparing 3-[(3S,4R)-3-methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,6-diazaspiro[3.4]octan-1-yl]-3-oxopropanenitrile by employing a co-crystal of 3-[(3S,4R)-3-methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,6-diazaspiro[3.4]octan-1-yl]-3-oxopropanenitrile with 3,5-dimethylpyrazole.

  本发明涉及可用作Janus激酶（JAK）抑制剂的7H-吡咯并[2,3-d]嘧啶衍生物的制备工艺、其共晶体、制备共晶体的工艺以及通过使用共晶体纯化7H-吡咯并[2,3-d]嘧啶衍生物的工艺。例如，本发明提供了一种制备 3-[(3S,4R)-3-甲基-6-(7H-吡咯并[2,3-d]嘧啶-4-基)-1,6-二氮杂螺[3.4]辛烷-1-基]-3-氧代丙腈的共晶体。