2,2,2-三氟-1-[(3R)-3-甲基-1-哌啶基]乙酮 | 159651-10-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 2,2,2-三氟-1-[(3R)-3-甲基-1-哌啶基]乙酮
• 英文名称: 2,2,2-Trifluoro-1-[(3R)-3-methylpiperidin-1-yl]ethan-1-one
• 英文别名: 2,2,2-trifluoro-1-[(3R)-3-methylpiperidin-1-yl]ethanone
• CAS: 159651-10-2
• 化学式: C₈H₁₂F₃NO
• 分子量: 195.18
• InChiKey: RFFFANRDPGCDDD-ZCFIWIBFSA-N

物化性质

• 沸点：
  254.2±35.0 °C(Predicted)
• 密度：
  1.181±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Dihydrothienopyrimidines for the Treatment of Inflammatory Diseases
  申请人：Pouzet Pascale

  公开号：US20080096882A1

  公开（公告）日：2008-04-24

  The invention relates to new dihydrothienopyrimidine of formula 1, as well as pharmacologically acceptable salts, diastereomers, enantiomers, racemates, hydrates or solvates thereof, wherein X is SO or SO 2 , but preferably SO, and wherein R 1 , R 2 and R 3 have the meanings given in the description, and which are suitable for the treatment of respiratory or gastrointestinal complaints or diseases, inflammatory diseases of the joints, skin or eyes, diseases of the peripheral or central nervous system or cancers, as well as pharmaceutical compositions which contain these compounds.

  该发明涉及公式1的新二氢噻吡嘧啶，以及其药理学上可接受的盐、对映体、旋光异构体、消旋体、水合物或溶剂合物，其中X为SO或SO2，但最好为SO，R1、R2和R3在描述中给出的含义，并且适用于治疗呼吸道或胃肠道疾病、关节、皮肤或眼睛的炎症性疾病、外周或中枢神经系统疾病或癌症，以及含有这些化合物的药物组合物。
• US8114878B2
  申请人：——

  公开号：US8114878B2

  公开（公告）日：2012-02-14
• [EN] PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN<br/>[FR] PRÉPARATION DE DIHYDROTHIÉNOPYRIMIDINES ET D'INTERMÉDIAIRES UTILISÉS LORS DE CELLE-CI
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2009052138A1

  公开（公告）日：2009-04-23

  The invention relates to improved methods of preparing dihydrothienopyrimidines of formula 1, and intermediates thereof,(I) wherein X is SO or SO2, preferably SO, and wherein RA, R1, R2, R3, R4 and R5 have the meanings given in the description. The methods according to this invention are more suitable for large-scale synthesis of said compounds than prior methods because the new synthetic process avoids distillation and chromatographic purification between steps and results in a higher overall yield of the desired product.