ethyl 2-amino-4,4,4-trifluorobutanoate hydrochloride | 3834-43-3

• 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: ethyl 2-amino-4,4,4-trifluorobutanoate hydrochloride
• 英文别名: 2-amino-4,4,4-trifluoro-butyric acid ethyl ester; hydrochloride；2-Amino-4,4,4-trifluor-buttersaeure-aethylester; Hydrochlorid；1-ethoxy-4,4,4-trifluoro-1-oxobutan-2-aminium chloride；ethyl 2-amino-4,4,4-trifluorobutanoate hydrochloride salt；1-Ethoxy-4,4,4-trifluoro-1-oxobutan-2-aminium chloride；(1-ethoxy-4,4,4-trifluoro-1-oxobutan-2-yl)azanium;chloride
• CAS: 3834-43-3
• 化学式: C₆H₁₀F₃NO₂*ClH
• 分子量: 221.607
• InChiKey: NSWWEXCIWCDUEY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.25
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  52.3
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 危险性防范说明：
  P261,P264,P270,P271,P280,P302+P352,P304+P340,P305+P351+P338,P310,P330,P332+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  ethyl 2-amino-4,4,4-trifluorobutanoate hydrochloride 在 sodium hydroxide 作用下， 生成 2-氨基-4,4,4-三氟丁酸
  参考文献：
  名称：

  Chemical Effects of the Trifluoromethyl Group: III. Synthesis of 2-Amino-4,4,4-trifluorobutyric Acid^1,2

  摘要：

  DOI：

  10.1021/jo01111a014
• 作为产物：
  描述：

  ethyl 2-(benzhydrylideneamino)-4,4,4-trifluoro-butanoate 在 盐酸 、 醋酸异丙酯 作用下， 以297.4 g的产率得到ethyl 2-amino-4,4,4-trifluorobutanoate hydrochloride
  参考文献：
  名称：

  A Short and Efficient Synthesis of 3-[2,2,2-Trifluoroethyl]hexahydro-2H-1,4-diazepin-2-one

  摘要：

  我们开发出了一种用五个步骤合成 3-[2,2,2-三氟乙基]六氢-2H-1,4-二氮杂环-2-酮的简短、高产的制药方法。

  DOI：

  10.1055/s-2007-983876

文献信息

• [EN] PTERIDINONES AS INHIBITORS OF POLO - LIKE KINASE<br/>[FR] PTÉRIDINONES EN TANT QU'INHIBITEURS DE POLO-LIKE KINASE
  申请人：ELAN PHARM INC

  公开号：WO2011079114A1

  公开（公告）日：2011-06-30

  The present invention provides compounds having a structure according to Formula (I) or a salt or solvate thereof, wherein ring A, X, R1, R2, R3, R4, R5 and R6, are defined herein. The invention further provides pharmaceutical compositions including the compounds of the invention and methods of making and using the compounds and compositions of the invention, e.g., in the treatment and prevention of various disorders, such as Parkinson's disease.

  本发明提供了具有如下结构式(I)的化合物或其盐或溶剂化物，其中环A、X、R1、R2、R3、R4、R5和R6的定义如本文所述。本发明还提供了包括本发明化合物的药物组合物以及制造和使用本发明化合物和组合物的方法，例如，在治疗和预防各种疾病，如帕金森病。
• A Short and Efficient Synthesis of 3-[2,2,2-Trifluoroethyl]hexahydro-2<i>H</i>-1,4-diazepin-2-one
  作者：Jaume Balsells、Marjorie Waters、Karl Hansen、Gerard Kieczykowski、Zhiguo Song

  DOI：10.1055/s-2007-983876

  日期：2007.9

  A short, high yielding, five-step synthesis of the pharmaceutically interesting fluorinated heterocycle, 3-[2,2,2-trifluoroethyl]hexahydro-2H-1,4-diazepin-2-one, has been developed.

  我们开发出了一种用五个步骤合成 3-[2,2,2-三氟乙基]六氢-2H-1,4-二氮杂环-2-酮的简短、高产的制药方法。
• Tartaric Acid Salts of a Dipeptidyl Peptidase-IV Inhibitor
  申请人：Song Zhiguo J.

  公开号：US20090124601A1

  公开（公告）日：2009-05-14

  Tartaric acid salts of (3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl) butanoyl]hexahydro-3-(2,2,2-trifluoroethyl)-2H-1,4-diazepin-2-one are potent inhibitors of dipeptidyl peptidase-IV and are useful for the prevention and/or treatment of non-insulin dependent diabetes mellitus, also referred to as Type 2 diabetes. The invention also relates to crystalline anhydrate forms of the tartaric acid salts as well as a process for their preparation, pharmaceutical compositions containing these novel forms and methods of use for the treatment of Type 2 diabetes.

  (3R)-4-[(3R)-3-氨基-4-(2,4,5-三氟苯基)丁酰基]六氢-3-(2,2,2-三氟乙基)-2H-1,4-二氮杂平-2-酮的酒石酸盐是二肽基肽酶-IV的有效抑制剂，可用于预防和/或治疗非胰岛素依赖性糖尿病，也称为2型糖尿病。该发明还涉及酒石酸盐的结晶无水物形式，以及它们的制备方法，含有这些新型物质的药物组合物和治疗2型糖尿病的使用方法。
• Cgrp Receptor Antagonists
  申请人：Burgey Christopher S.

  公开号：US20080113966A1

  公开（公告）日：2008-05-15

  Compounds of Formula (I): and Formula (II): (where variables R 2 , R 4 , A, B, D, W, X, Y and Z are as defined herein) useful as antagonists of CGRP receptors and useful in the treatment or prevention of diseases in which the CGRP is involved, such as headache, migraine and cluster headache. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP is involved.

  式(I)和式(II)的化合物(其中变量R2、R4、A、B、D、W、X、Y和Z的定义如本文所述)，可用作CGRP受体拮抗剂，用于治疗或预防CGRP参与的疾病，如头痛、偏头痛和集群头痛。本发明还涉及包含这些化合物的制药组合物以及使用这些化合物和组合物预防或治疗CGRP参与的这些疾病的用途。
• CGRP receptor antagonists
  申请人：Merck Sharp & Dohme Corp.

  公开号：US08039460B2

  公开（公告）日：2011-10-18

  Compounds of Formula (I): and Formula (II): (where variables R2, R4, A, B, D, W, X, Y and Z are as defined herein) useful as antagonists of CGRP receptors and useful in the treatment or prevention of diseases in which the CGRP is involved, such as headache, migraine and cluster headache. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP is involved.

  化合物I（式中变量R2、R4、A、B、D、W、X、Y和Z如本文所定义）和化合物II（式中变量R2、R4、A、B、D、W、X、Y和Z如本文所定义）是CGRP受体拮抗剂，可用于治疗或预防CGRP参与的疾病，如头痛、偏头痛和群发性头痛。本发明还涉及包含这些化合物的药物组合物，以及在预防或治疗CGRP参与的这些疾病中使用这些化合物和组合物。