2,2,2-trifluoroethyl-1,1-d2-4-methyl benzenesulfonate | 599-74-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,2,2-trifluoroethyl-1,1-d2-4-methyl benzenesulfonate
• 英文别名: toluene-4-sulfonic acid-(1,1-dideuterio-2,2,2-trifluoro-ethyl ester)；Toluol-4-sulfonsaeure-(1,1-dideuterio-2,2,2-trifluor-aethylester)；2,2,2-trifluoroethanol-1-d2-tosylate；2,2,2,Trifluoroethyl (D2) 4-methylbenzenesulfonate；(1,1-dideuterio-2,2,2-trifluoroethyl) 4-methylbenzenesulfonate
• CAS: 599-74-6
• 化学式: C₉H₉F₃O₃S
• 分子量: 256.214
• InChiKey: IGKCQDUYZULGBM-NCYHJHSESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,2,2-trifluoroethyl-1,1-d2-4-methyl benzenesulfonate 、 木榴油 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以75%的产率得到1-methoxy-2-(2,2,2-trifluoro-1-d2-ethoxy)benzene
  参考文献：
  名称：

  WO2008/106125

  摘要：

  公开号：
• 作为产物：
  描述：

  2,2,2-三氟乙醇-d2 、 对甲苯磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以76.4 %的产率得到2,2,2-trifluoroethyl-1,1-d2-4-methyl benzenesulfonate
  参考文献：
  名称：

  WO2023/84206

  摘要：

  公开号：

文献信息

• ALPHA 1A-ADRENOCEPTOR ANTAGONISTS
  申请人：Liu Julie F.

  公开号：US20100076010A1

  公开（公告）日：2010-03-25

  This invention relates to novel compounds that are dihydroindoles derivatives and pharmaceutically acceptable salts thereof. More specifically, this invention relates to novel dihydroindoles derivatives that are derivatives of silodosin. This invention also provides compositions comprising one or more compounds of this invention and a carrier and the use of the disclosed compounds and compositions in methods of treating diseases and conditions that are beneficially treated by administering an α-1A-adrenoreceptor antagonist, such as silodosin.

  本发明涉及一种新颖的化合物，它们是二氢吲哚衍生物及其药学上可接受的盐。更具体地说，本发明涉及一种新颖的二氢吲哚衍生物，它们是硅唑洛辛的衍生物。本发明还提供了包含本发明中的一种或多种化合物和载体的组合物，以及使用所披露的化合物和组合物治疗通过给予α-1A-肾上腺素受体拮抗剂（如硅唑洛辛）有益治疗的疾病和病状的方法。
• Vibrational Spectra of CF₂ = CHD and CF₂ = CD₂
  作者：Walter F. Edgell、Casper J. Ultee

  DOI：10.1063/1.1739979

  日期：1954.12

  A method has been devised to prepare CF2 = CD2 and CF2 = CHD. The infrared spectra of the gaseous compounds and the Raman spectra of the liquids have been determined. The observed frequencies have been assigned to the fundamental modes of vibration and to overtones and combinations. The torsional frequency has been estimated as ca 720 and ca 520 cm—1 in CF2 = CH2 and CF2 = CD2, respectively. The overtone of the torsional frequency interacts with the CH2 or the CD2 deformation fundamental and this is the cause of the anomalous results with the product rule.
• DEUTERATED DERIVATIVES OF SILODOSIN AS ALPHA IA-ADRENORECEPTOR ANTAGONISTS
  申请人：Concert Pharmaceuticals Inc.

  公开号：EP2125717A2

  公开（公告）日：2009-12-02
• Alpha 1A-adrenoceptor antagonists
  申请人：Liu Julie F.

  公开号：US20090012112A1

  公开（公告）日：2009-01-08

  This invention relates to novel compounds that are dihydroindoles derivatives and pharmaceutically acceptable salts thereof. More specifically, this invention relates to novel dihydroindoles derivatives that are derivatives of silodosin. This invention also provides compositions comprising one or more compounds of this invention and a carrier and the use of the disclosed compounds and compositions in methods of treating diseases and conditions that are beneficially treated by administering an α- 1 A-adrenoreceptor antagonist, such as silodosin.
• US8013007B2
  申请人：——

  公开号：US8013007B2

  公开（公告）日：2011-09-06