Atazanavir-d9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Atazanavir-d9
• 英文别名: methyl N-[(2S)-1-[2-[(2S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
• 化学式: C₃₈H₅₂N₆O₇
• 分子量: 704.9
• InChiKey: AXRYRYVKAWYZBR-CQHGWOHYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  51
• 可旋转键数：
  18
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  171
• 氢给体数：
  5
• 氢受体数：
  9

文献信息

• IMPROVED PROCESS FOR THE PREPARATION OF ARYLPYRIDINYL COMPOUNDS
  申请人：Scrocchi Roberto

  公开号：US20120157687A1

  公开（公告）日：2012-06-21

  A process is described for the preparation of arylpyridine compounds by aryl-aryl cross-coupling reactions between a halopyridine and an arylmagnesium halide carried out in the presence of a catalytic amount of a zinc salt and a catalytic amount of palladium complex with a bidentate phosphine. The zinc salt is preferably selected from ZnCl 2 , ZnBr 2 and/or Zn(OAc) 2 , while the palladium complex with a bidentate phosphine is preferably selected from the group of (1,2-Bis(diphenylphosphino)ethane)palladium(II) chloride, (1,3-Bis(diphenylphosphino)propane)palladium(II) chloride and (1,4-Bis(diphenylphosphino)butane)palladium(II) chloride. Most preferred is (1,2-Bis(diphenylphosphino)ethane)palladium(II) chloride. It is thus possible to obtain molar yields higher than 95% calculated on the arylmagnesium halide and a catalyticity less than 1:1500. The process is particularly suitable for the preparation of 4-(2′-pyridyl)benzaldehyde which can then effectively been converted to N1-(t-butoxycarbonyl)-N2-(4-(2′pyridyl)benzyl)hydrazine.

  一种制备芳基吡啶化合物的工艺被描述为，在存在少量锌盐和具有双齿磷腈的钯络合物的催化下，通过卤代吡啶和芳基镁卤化物的芳基-芳基交叉偶联反应进行。锌盐最好选择ZnCl2，ZnBr2和/或Zn(OAc)2，而具有双齿磷腈的钯络合物最好选择从（1,2-双(二苯基膦基)乙烷）钯(II)氯化物，（1,3-双(二苯基膦基)丙烷）钯(II)氯化物和（1,4-双(二苯基膦基)丁烷）钯(II)氯化物中选择。最好的是（1,2-双(二苯基膦基)乙烷）钯(II)氯化物。因此，可以获得高于95％的摩尔收率，计算基于芳基镁卤化物，催化性小于1:1500。该工艺特别适用于制备4-(2'-吡啶基)苯甲醛，然后可以有效地转化为N1-(t-丁氧羰基)-N2-(4-(2'-吡啶基)苯基)肼。
• DRY PROCESSING OF ATAZANAVIR
  申请人：Meergans Dominique

  公开号：US20130224294A1

  公开（公告）日：2013-08-29

  The invention relates to dry processes for producing oral dosage forms, more specifically tablets, comprising atazanavir and adhesion enhancers. The invention further relates to compacted intermediates comprising atazanavir and adhesion enhancers.