benzotriazol-1-yl (2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoate | 869285-68-7

• 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: benzotriazol-1-yl (2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoate
• CAS: 869285-68-7
• 化学式: C₁₄H₁₈N₄O₄
• 分子量: 306.321
• InChiKey: YTDMTTYOLYTDMS-LLVKDONJSA-N

物化性质

• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  95.3
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  benzotriazol-1-yl (2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoate 、 1-[4-(pyridin-2-yl)phenyl]-4(S)-hydroxy-5(S)-2,5-diamino-6-phenyl-2-azahexane trihydrochloride 在 dipotassium hydrogenphosphate 作用下， 以 水 为溶剂， 以100%的产率得到阿扎那韦
  参考文献：
  名称：

  TABLETED COMPOSITIONS CONTAINING ATAZANAVIR

  摘要：

  本发明涉及含有阿扎那韦硫酸盐的压缩片，可选地含有其他活性剂，例如抗HIV剂，含有阿扎那韦硫酸盐和一种颗粒内润滑剂的颗粒，可用于制备该压缩片，包含多个颗粒的组合物，制备颗粒和压缩片的方法，以及治疗HIV的方法。

  公开号：

  US20180071270A1
• 作为产物：
  描述：

  L-叔亮氨酸 在 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 为溶剂， 反应 14.0h， 生成 benzotriazol-1-yl (2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoate
  参考文献：
  名称：

  PROCESS FOR THE PREPARATION OF 3,4-EPOXY-2-AMINO-1-SUBSTITUTED BUTANE DERIVATIVES AND INTERMEDIATE COMPOUNDS THEREOF

  摘要：

  本发明涉及一种制备threo-3,4-环氧-2-氨基-1-取代丁烷衍生物的方法，该衍生物由通式I表示，包括将通式III化合物或其盐与通式IV酸的活性酯反应，并用碱处理其产物。在通式I和IV中与基团R3键合的碳原子处于(R)-、(S)-或(R,S)-构型。通式I和III的化合物，特别是它们的(2S,3R)构型，可用作制备阿扎那韦双硫酸盐的中间体。

  公开号：

  US20110178305A1

文献信息

• Process for preparing atazanavir bisulfate and novel forms
  申请人：Kim Soojin

  公开号：US20050256202A1

  公开（公告）日：2005-11-17

  A process is provided for preparing the HIV protease inhibitor atazanavir bisulfate wherein a solution of atazanavir free base is reacted with concentrated sulfuric acid in an amount to react with less than about 15% by weight of the free base, seeds of Form A crystals of atazanavir bisulfate are added to the reaction mixture, and as crystals of the bisulfate form, additional concentrated sulfuric acid is added in multiple stages at increasing rates according to a cubic equation, to effect formation of Form A crystals of atazanavir bisulfate. A process is also provided for preparing atazanavir bisulfate as Pattern C material. A novel form of atazanavir bisulfate is also provided which is Form E3 which is a highly crystalline triethanolate solvate of the bisulfate salt from ethanol.

  提供了一种制备HIV蛋白酶抑制剂阿扎那韦硫酸盐的方法，其中阿扎那韦无水碱的溶液与浓硫酸反应，反应量小于无水碱重量的约15％，向反应混合物中添加阿扎那韦硫酸盐A形晶体种子，当硫酸盐形成晶体时，根据一个三次方程式逐步增加浓硫酸的速率，以形成阿扎那韦硫酸盐A形晶体。还提供了一种制备阿扎那韦硫酸盐C型材料的方法。此外，还提供了一种新型的阿扎那韦硫酸盐形式，即E3型，它是来自乙醇的硫酸盐盐的高结晶三乙醇溶剂化合物。
• PROCESS FOR PREPARING ATAZANAVIR BISULFATE AND NOVEL FORMS
  申请人：Kim Soojin

  公开号：US20110124689A1

  公开（公告）日：2011-05-26

  A process is provided for preparing the HIV protease inhibitor atazanavir bisulfate wherein a solution of atazanavir free base is reacted with concentrated sulfuric acid in an amount to react with less than about 15% by weight of the free base, seeds of Form A crystals of atazanavir bisulfate are added to the reaction mixture, and as crystals of the bisulfate form, additional concentrated sulfuric acid is added in multiple stages at increasing rates according to a cubic equation, to effect formation of Form A crystals of atazanavir bisulfate. A process is also provided for preparing atazanavir bisulfate as Pattern C material. A novel form of atazanavir bisulfate is also provided which is Form E3 which is a highly crystalline triethanolate solvate of the bisulfate salt from ethanol.

  提供了一种制备HIV蛋白酶抑制剂阿扎那韦硫酸盐的方法，其中阿扎那韦游离碱的溶液与浓硫酸反应，反应量小于游离碱重量的约15％，向反应混合物中加入阿扎那韦硫酸盐A型晶体籽晶，随着硫酸盐晶体的形成，按照三次方程式增加速率分阶段加入额外的浓硫酸，以促进阿扎那韦硫酸盐A型晶体的形成。还提供了一种制备阿扎那韦硫酸盐C型物质的方法。还提供了一种新型的阿扎那韦硫酸盐E3型，它是从乙醇中形成的高结晶三乙醇酸盐溶剂型。
• [EN] PROCESS FOR THE PREPARATION OF 3,4-EPOXY-2-AMINO-1-SUBSTITUTED BUTANE DERIVATIVES AND INTERMEDIATE COMPOUNDS THEREOF<br/>[FR] PROCÉDÉ DE PRÉPARATION DE DÉRIVÉS DE BUTANE 3,4-ÉPOXY-2-AMINO-1-SUBSTITUÉS ET LEURS COMPOSÉS INTERMÉDIAIRES
  申请人：RANBAXY LAB LTD

  公开号：WO2009136365A1

  公开（公告）日：2009-11-12

  The present invention relates to a process for the preparation of threo-3,4-epoxy-2- amino-1-substituted butane derivatives represented by general Formula I which comprises reacting compound of Formula III or salt thereof with an active ester of acid of Formula IV and treating the product thereof with base. The carbon atom bonded to the radical R3 in Formula I and IV is in the (R)-, (S)- or (R,S)-configuration. The compounds of Formula I and III, particularly in their (2S,3R) configuration are useful intermediates for the preparation of atazanavir bisulfate.

  本发明涉及一种制备一般式I所代表的threo-3,4-环氧-2-氨基-1-取代丁烷衍生物的方法，包括将一般式III化合物或其盐与一般式IV酸的活性酯反应，并用碱处理其产物。在公式I和IV中与基团R3键合的碳原子处于(R)-、(S)-或(R,S)-构型。公式I和III的化合物，特别是它们的(2S,3R)构型，可用作atazanavir硫酸盐的中间体。
• ATAZANAVIR SULFATE FORMULATIONS WITH IMPROVED pH EFFECT
  申请人：Nikfar Faranak

  公开号：US20130203759A1

  公开（公告）日：2013-08-08

  Disclosed are compressed tablets containing atazanavir sulfate and an acidifying agent, optionally with another active agent, e.g., anti-HIV agents, and optionally with precipitation retardant agents. Also disclosed are processes for making the tablets, and methods of treating HIV.
• ATAZANAVIR SULFATE FORMULATIONS WITH IMPROVED Ph EFFECT
  申请人：Bristol-Myers Squibb Company

  公开号：US20180021436A1

  公开（公告）日：2018-01-25

  Disclosed are compressed tablets containing atazanavir sulfate and an acidifying agent, optionally with another active agent, e.g., anti-HIV agents, and optionally with precipitation retardant agents. Also disclosed are processes for making the tablets, and methods of treating HIV.