2-tert-butoxycarbonylamino-2-hydroxy-1,1,1,3,3,3-hexafluoropropane | 52786-44-4

• 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: 2-tert-butoxycarbonylamino-2-hydroxy-1,1,1,3,3,3-hexafluoropropane
• 英文别名: tert-butyl N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)carbamate
• CAS: 52786-44-4
• 化学式: C₈H₁₁F₆NO₃
• 分子量: 283.171
• InChiKey: BHPIIGCIWZJPGA-UHFFFAOYSA-N

物化性质

• 沸点：
  262.3±40.0 °C(Predicted)
• 密度：
  1.393±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2-tert-butoxycarbonylamino-2-hydroxy-1,1,1,3,3,3-hexafluoropropane 在 三氯氧磷 作用下， 以 喹啉 为溶剂， 生成
  参考文献：
  名称：

  Nucleophilic adducts of N-tert-butyloxycarbonyl-1,1,1,3,3,3-hexafluoroisopropylimine. Facile hydrolysis of imidazole-based adducts

  摘要：

  DOI：

  10.1021/jo00904a037
• 作为产物：
  描述：

  氨基甲酸叔丁酯 、 六氟丙酮 以 二氯甲烷 为溶剂， 以to give 2-tert-butoxycarbonylamino-2-hydroxy-1,1,1,3,3,3-hexafluoropropane的产率得到2-tert-butoxycarbonylamino-2-hydroxy-1,1,1,3,3,3-hexafluoropropane
  参考文献：
  名称：

  Bis(trifluoromethyl)hydantoins as intermediates for pharmaceutically active ingredients

  摘要：

  本发明涉及公式I的脲嘧啶，其中R是氨基羧酸或氨基羧酸衍生物的残基，该残基是通过从氨基羧酸或氨基羧酸衍生物中去除NH2基团而形成的，以及其制备方法和用作中间体的用途，特别是用于制备药物活性成分。

  公开号：

  US06794517B2

文献信息

• Novel imidazolidine derivatives, their preparation, their use and pharmaceutical preparations comprising them
  申请人：——

  公开号：US20030073723A1

  公开（公告）日：2003-04-17

  The present invention relates to novel imidazolidine derivatives of formula I, 1 wherein A, E, Z, R 1 , R 2 , R 3 , R 4 and R 5 have the meanings indicated in the claims. The compounds of formula I are valuable pharmaceutical active compounds which are suitable, for example, for the treatment of inflammatory diseases, including rheumatoid arthritis, or allergic diseases. The compounds of formula I are inhibitors of the adhesion and migration of leukocytes and/or antagonists of the adhesion receptor VLA-4 belonging to the integrins group. They are generally suitable for the treatment of diseases which are caused by an undesired extent of leukocyte adhesion and/or leukocyte migration or are associated therewith or in which cell-cell or cell-matrix interactions which are based on the interactions of VLA-4 receptors with their ligands play a role. The invention furthermore relates to processes for the preparation of the compounds of formula I, their use and pharmaceutical preparations which contain compounds of formula I.

  本发明涉及具有以下式I的新型咪唑啉衍生物， 其中A、E、Z、R1、R2、R3、R4和R5在权利要求中所示。式I的化合物是有价值的药用活性化合物，例如适用于治疗炎症性疾病，包括类风湿关节炎或过敏性疾病。式I的化合物是白细胞粘附和迁移的抑制剂和/或整合素群中属于粘附受体VLA-4的拮抗剂。它们通常适用于由白细胞粘附和/或白细胞迁移的不良程度引起的疾病的治疗，或与之相关的疾病，或者在其中基于VLA-4受体与其配体相互作用的细胞-细胞或细胞-基质相互作用起作用的疾病。此外，本发明还涉及制备式I化合物的方法，它们的用途以及含有式I化合物的药物制剂。
• Novel imidazolidine derivatives, their preparation and their use
  申请人：——

  公开号：US20030109497A1

  公开（公告）日：2003-06-12

  The present invention relates to novel imidazolidine derivatives of the formula I, 1 in which B, E, W, Y, R, R 2 , R 3 , R 30 , e and h have the meanings given herein. The compounds of the formula I are valuable pharmaceutically active compounds which are suitable, for example, for treating inflammatory diseases, for example, rheumatoid arthritis, or allergic diseases. The compounds of the formula I are inhibitors of the adhesion and migration of leukocytes and/or antagonists of the adhesion receptor VLA-4, which belongs to the integrin group. They are generally suitable for treating diseases which are caused by, or associated with, an undesirable degree of leukocyte adhesion and/or leukocyte migration or in which cell-cell or cell-matrix interactions, which are based on the interactions of VLA-4 receptors with their ligands, play a role. The invention furthermore relates to processes for preparing the compounds of the formula I, to their use and to pharmaceutical preparations which comprise compounds of the formula I.

  本发明涉及公式I的新型咪唑啉衍生物，其中B、E、W、Y、R、R2、R3、R30、e和h的含义如本文所述。公式I的化合物是有价值的药物活性化合物，例如，适用于治疗炎症性疾病，例如类风湿性关节炎或过敏性疾病。公式I的化合物是白细胞的黏附和迁移的抑制剂和/或黏附受体VLA-4的拮抗剂，该受体属于整合素组。它们通常适用于治疗由白细胞黏附和/或白细胞迁移的不良程度引起或与之相关的疾病，或在其中基于VLA-4受体与其配体的相互作用的细胞-细胞或细胞-基质相互作用发挥作用。此外，本发明还涉及制备公式I的化合物的方法，它们的用途以及包括公式I的化合物的制药制剂。
• [EN] IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, AND THEIR USE AS ANTINFLAMATORY AGENT.<br/>[FR] DERIVES D'IMIDAZOLIDINE, LEUR PREPARATION ET LEUR UTILISATION EN TANT QU'AGENT ANTI-INFLAMMATOIRE
  申请人：AVENTIS PHARMA GMBH

  公开号：WO2002072573A1

  公开（公告）日：2002-09-19

  The present invention relates to novel imidazolidine derivatives of formula (I), in which A, E, Z, R?1, R2, R3, R4 and R5¿ have the meanings indicated in the claims. The compounds of formula (I) are valuable pharmaceutical active compounds which are suitable, for example, for the treatment of inflammatory diseases, for example of rheumatoid arthritis, or of allergic diseases. The compounds of the formula (I) are inhibitors of the adhesion and migration of leukoxytes and/or antagonists of the adhesion receptor VLA-4 belonging to teh integrins group. They are generally suitable for teh treatment of diseases which are caused by an undesired extend of leukocyte adhesion and or leukocyte migration or are associated therewith or in which cell-cell or cell-matrix interactions which are based on the interactions of VLA-4 receptors with their ligands play a role. The invention furthermore relates to processes for the preparation of the compounds of formula (I), their use and pharmaceutical preparations which contain compounds of formula (I).

  本发明涉及一种新的咪唑啉衍生物的公式(I)，其中A、E、Z、R1、R2、R3、R4和R5具有权利要求中指示的含义。公式(I)的化合物是有价值的药物活性化合物，例如适用于治疗炎症性疾病，例如类风湿性关节炎或过敏性疾病。公式(I)的化合物是白细胞粘附和迁移的抑制剂和/或属于整合素组的粘附受体VLA-4的拮抗剂。它们通常适用于由白细胞粘附和/或白细胞迁移的不良扩展引起的疾病，或者与之相关的细胞-细胞或细胞-基质相互作用或VLA-4受体与其配体相互作用的疾病。此外，本发明还涉及公式(I)化合物的制备方法、它们的用途和含有公式(I)化合物的制药制剂。
• Steglich,W. et al., Chemische Berichte, 1974, vol. 107, p. 1488 - 1498
  作者：Steglich,W. et al.

  DOI：——

  日期：——
• IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, AND THEIR USE AS ANTIINFLAMATORY AGENT
  申请人：Aventis Pharma Deutschland GmbH

  公开号：EP1373249B1

  公开（公告）日：2005-04-20