2-(cyanomethyl)-1-hydroxy-5,5-dimethylpyrrolidine | 1469885-54-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 2-(cyanomethyl)-1-hydroxy-5,5-dimethylpyrrolidine
• 英文别名: 2-(1-Hydroxy-5,5-dimethylpyrrolidin-2-yl)acetonitrile；2-(1-hydroxy-5,5-dimethylpyrrolidin-2-yl)acetonitrile
• CAS: 1469885-54-8
• 化学式: C₈H₁₄N₂O
• 分子量: 154.212
• InChiKey: ITIIKPCOKZNRKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  47.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5,5-二甲基-1-吡咯啉-N-氧化物 在 四甲基氟化铵 、 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 2-(cyanomethyl)-1-hydroxy-5,5-dimethylpyrrolidine
  参考文献：
  名称：

  三氟甲基甲烷作为强碱：[CF 3 – ]通过从溶剂中提取质子来介导硝基的二氯甲基化

  摘要：

  CF的前所未有的反应3 -TMS已经揭示，其利用的基本特征所生成的[CF 3 - ]能够与后续的光滑的条件下转移到硝酮从二氯甲烷递送dichloromethide的。通过CD 2 Cl 2中的同位素标记实验证明了质子吸收途径。在氰基上引入氰基甲基后，在乙腈中完成了相同的反应。

  DOI：

  10.1021/jo402028r

文献信息

• Modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US11066417B2

  公开（公告）日：2021-07-20

  Compounds of Formula (I): pharmaceutically acceptable salts thereof, deuterated derivatives of any of the foregoing, and metabolites of any of the foregoing are disclosed. Pharmaceutical compositions comprising the same, methods of treating cystic fibrosis using the same, and methods for making the same are also disclosed.

  式 (I) 的化合物： 公开了前述化合物的药学上可接受的盐、前述化合物的氚代衍生物以及前述化合物的代谢物。还公开了包含上述物质的药物组合物、使用上述物质治疗囊性纤维化的方法以及上述物质的制造方法。
• MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：EP3752510B1

  公开（公告）日：2022-12-07
• EP3752510A1
  申请人：——

  公开号：EP3752510A1

  公开（公告）日：2020-12-23
• Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20190248809A1

  公开（公告）日：2019-08-15

  Compounds of Formula (I): pharmaceutically acceptable salts thereof, deuterated derivatives of any of the foregoing, and metabolites of any of the foregoing are disclosed. Pharmaceutical compositions comprising the same, methods of treating cystic fibrosis using the same, and methods for making the same are also disclosed.
• [EN] MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM<br/>[FR] MACROCYCLES UTILISÉS EN TANT QUE MODULATEURS DU RÉGULATEUR DE LA CONDUCTANCE TRANSMEMBRANAIRE DE FIBROSE KYSTIQUE, COMPOSITIONS PHARMACEUTIQUES DE CEUX-CI, LEUR UTILISATION DANS LE TRAITEMENT DE LA FIBROSE KYSTIQUE ET PROCÉDÉ DE FABRICATION ASSOCIÉ
  申请人：VERTEX PHARMA

  公开号：WO2019161078A1

  公开（公告）日：2019-08-22

  Compounds of Formula (I), pharmaceutically acceptable salts thereof, deuterated derivatives of any of the foregoing, and metabolites of any of the foregoing are disclosed. Pharmaceutical compositions comprising the same, methods of treating cystic fibrosis using the same, and methods for making the same are also disclosed.