allyl 4,4,4-trifluoro-3-oxo-butanoate | 571178-40-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: allyl 4,4,4-trifluoro-3-oxo-butanoate
• 英文别名: Allyl 4,4,4-trifluoro-3-oxobutanoate；prop-2-enyl 4,4,4-trifluoro-3-oxobutanoate
• CAS: 571178-40-0
• 化学式: C₇H₇F₃O₃
• 分子量: 196.126
• InChiKey: TYEIDVZLWPUSSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  allyl 4,4,4-trifluoro-3-oxo-butanoate 在 ammonium acetate 、 对甲苯磺酸 作用下， 以 乙醇 、 溶剂黄146 为溶剂， 生成 4-(3-Cyano-phenyl)-5-oxo-2-trifluoromethyl-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid allyl ester
  参考文献：
  名称：

  Alternative esters in the synthesis of ZD0947

  摘要：

  Alternatives to the original iso-borneol and allyl esters were investigated in the synthesis of ZD0947 (1). Homologous allylic esters were prepared in higher yields and were more readily purified than for the existing route, but offered no further benefits later in the synthesis. However, the PNB-substituted ester series provided crystalline intermediates, higher yields and simplified isolations through-out, and utilised a heterogeneous hydrogenation, thus reducing the residual catalyst levels. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.03.057
• 作为产物：
  描述：

  烯丙醇 、 三氟乙酰乙酸乙酯 以35%的产率得到allyl 4,4,4-trifluoro-3-oxo-butanoate
  参考文献：
  名称：

  Alternative esters in the synthesis of ZD0947

  摘要：

  Alternatives to the original iso-borneol and allyl esters were investigated in the synthesis of ZD0947 (1). Homologous allylic esters were prepared in higher yields and were more readily purified than for the existing route, but offered no further benefits later in the synthesis. However, the PNB-substituted ester series provided crystalline intermediates, higher yields and simplified isolations through-out, and utilised a heterogeneous hydrogenation, thus reducing the residual catalyst levels. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.03.057

文献信息

• SUBSTITUTED-4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINAMIDES AND USE THEREOF
  申请人：Bärfacker Lars

  公开号：US20100136142A1

  公开（公告）日：2010-06-03

  The present application relates to novel substituted 4-aryl-1,4-dihydro-1,6-naphthyridine-3-carboxamides, a process for their preparation, their use for the treatment and/or prophylaxis of diseases, and their use for the manufacture of medicaments for the treatment and/or prophylaxis of diseases, especially cardiovascular disorders.

  本申请涉及新型取代的4-芳基-1,4-二氢-1,6-萘啶-3-羧酰胺，其制备方法，其用于治疗和/或预防疾病的用途，以及其用于制造用于治疗和/或预防疾病的药物，特别是心血管疾病。
• 치환된 4-아릴-1,4-디히드로-1,6-나프티리딘아미드 및 그의 용도
  申请人：Bayer Intellectual Property GmbH 바이엘 인텔렉쳐 프로퍼티 게엠베하(520120202294)

  公开号：KR101614164B1

  公开（公告）日：2016-04-20

  본 발명은 신규한 4-아릴-1,4-디히드로-1,6-나프티리딘-3-카르복스아미드, 그의 제조 방법, 질환의 치료 및/또는 예방을 위한 그의 용도, 및 질환, 특히 심혈관 질환의 치료 및/또는 예방을 위한 의약의 제조에 있어서 그의 용도에 관한 것이다. 심혈관 질환 4-아릴-1 4-디히드로-1 6-나프티리딘-3-카르복스아미드

  这项发明涉及新型的4-芳基-1,4-二氢-1,6-萘啶-3-羰基酰胺，其制备方法，以及其用于治疗和/或预防疾病，特别是用于制备药物以治疗和/或预防心血管疾病的用途。心血管疾病 4-芳基-1 4-二氢-1 6-萘啶-3-羰基酰胺
• QUINOLINYL MODULATORS OF RORyt
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：US20150111870A1

  公开（公告）日：2015-04-23

  The present invention comprises compounds of Formula I. wherein: R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , and R 9 are defined in the specification. The invention also comprises a method of treating or ameliorating a syndrome, disorder or disease, wherein said syndrome, disorder or disease is rheumatoid arthritis or psoriasis. The invention also comprises a method of modulating RORγt activity in a mammal by administration of a therapeutically effective amount of at least one compound of claim 1.

  本发明涵盖了式I的化合物。 其中： R1、R2、R3、R4、R5、R6、R7、R8和R9在规范中有定义。 该发明还涵盖了一种治疗或改善综合症、疾病或疾病的方法，其中所述的综合症、疾病或疾病是类风湿性关节炎或牛皮癣。该发明还涵盖了通过给哺乳动物施用至少一种权利要求1中的化合物的治疗有效量来调节RORγt活性的方法。
• [EN] PROCESS FOR PREPARATION OF 4,4,4- TRIFLUOROBUT-2-EN-1-OL AND INTERMEDIATE THEREOF<br/>[FR] PROCÉDÉ DE PRÉPARATION DE 4,4,4-TRIFLUOROBUT-2-ÈNE-1-OL ET INTERMÉDIAIRE DE CELUI-CI
  申请人：SRF LTD

  公开号：WO2020148780A1

  公开（公告）日：2020-07-23

  The present invention provides a process for preparation of 4,4,4- trifluorobut-2-en-1-ol from alkyl 4,4,4-trifluorobut-2-enoate and also provides one step process for preparation of alkyl 4,4,4-trifluorobut-2-enoate from corresponding hydroxy derivative using mild and easily available reagents.

  本发明提供了一种从烷基4,4,4-三氟丁-2-烯酸酯制备4,4,4-三氟丁-2-烯-1-醇的方法，并且提供了一步法制备烷基4,4,4-三氟丁-2-烯酸酯的方法，该方法使用温和且易得的试剂从相应的羟基衍生物制备。
• METHOD FOR PRODUCING CRYSTAL OF URACIL COMPOUND
  申请人：Sumitomo Chemical Company, Limited

  公开号：US20190263780A1

  公开（公告）日：2019-08-29

  The invention provides a method for producing a crystal of a uracil compound with high purity by a process which can be carried out in an industrial scale. Specifically, the invention provides a method for producing a crystal of a uracil compound, wherein the method comprises dissolving a composition comprising a uracil compound represented by formula (1) in organic solvents consisting of a C3-C6 alcohol solvent and an aromatic solvent to obtain a solution, and precipitating a crystal of said uracil compound from the solution.

  本发明提供了一种生产尿嘧啶化合物晶体的高纯度方法，该方法可在工业规模下进行。具体来说，本发明提供了一种生产尿嘧啶化合物晶体的方法，其中该方法包括将一个由式（1）表示的尿嘧啶化合物组成的溶液在由C3-C6醇溶剂和芳香溶剂组成的有机溶剂中溶解，并从溶液中沉淀出所述尿嘧啶化合物的晶体。