tert-butyl 2-(2,2,2-trifluoroethyl)hydrazinecarboxylate

• 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: tert-butyl 2-(2,2,2-trifluoroethyl)hydrazinecarboxylate
• 英文别名: Tert-butyl 2-(2,2,2-trifluoroethyl)hydrazinecarboxylate；tert-butyl N-(2,2,2-trifluoroethylamino)carbamate
• 化学式: C₇H₁₃F₃N₂O₂
• 分子量: 214.188
• InChiKey: WUCCBVYAYLCMNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-butyl 2-(2,2,2-trifluoroethyl)hydrazinecarboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 2,2,2-三氟乙基肼
  参考文献：
  名称：

  Discovery, synthesis and characterization of a series of (1-alkyl-3-methyl-1H-pyrazol-5-yl)-2-(5-aryl-2H-tetrazol-2-yl)acetamides as novel GIRK1/2 potassium channel activators

  摘要：

  The present study describes the discovery and characterization of a series of 5-aryl-2H-tetrazol-3-ylacetamides as G protein-gated inwardly-rectifying potassium (GIRK) channels activators. Working from an initial hit discovered during a high-throughput screening campaign, we identified a tetrazole scaffold that shifts away from the previously reported urea-based scaffolds while remaining effective GIRK1/2 channel activators. In addition, we evaluated the compounds in Tier 1 DMPK assays and have identified a (3-methyl-1H-pyrazol-1-yl)tetrahydrothiophene-1,1-dioxide head group that imparts interesting and unexpected microsomal stability compared to previously-reported pyrazole head groups.

  DOI：

  10.1016/j.bmcl.2019.01.027
• 作为产物：
  描述：

  tert-butyl N-[(E)-2,2,2-trifluoroethylideneamino]carbamate 在 钯 氢气 、 crude product 、 silica gel 、 EtOAc petroleum ether 作用下， 以 甲醇 为溶剂， 反应 16.0h， 以to afford tert-butyl 2-(2,2,2-trifluoroethyl)hydrazinecarboxylate (1.32 g, 33% yield) as pale yellow oil的产率得到tert-butyl 2-(2,2,2-trifluoroethyl)hydrazinecarboxylate
  参考文献：
  名称：

  BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE

  摘要：

  Benzoxazepin公式I化合物，包括立体异构体、几何异构体、互变异构体、代谢物和药学上可接受的盐，用于抑制PI3K的δ异构体，并用于治疗由脂质激酶介导的疾病，如炎症、免疫紊乱和癌症。本文公开了使用公式I化合物的方法，用于哺乳动物细胞中的体外、体内和原位诊断、预防或治疗此类疾病或相关病理条件。

  公开号：

  US20120245144A1

文献信息

• BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE
  申请人：Heffron Timothy

  公开号：US20120245144A1

  公开（公告）日：2012-09-27

  Benzoxazepin Formula I compounds, including stereoisomers, geometric isomers, tautomers, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting the delta isoform of PI3K, and for treating disorders mediated by lipid kinases such as inflammation, immunological disorders, and cancer. Methods of using compounds of Formula I for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  本句翻译为中文是：苯并恶唑啉I型化合物，包括立体异构体、几何异构体、互变异构体、代谢物以及药学上可接受的盐，对于抑制PI3K的δ异构体以及治疗由脂质激酶介导的疾病如炎症、免疫疾病和癌症是有用的。公开了使用I型化合物公式进行体外、原位和体内诊断、预防或治疗哺乳动物细胞中此类疾病或相关病理状况的方法。
• MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO
  申请人：Dow AgroSciences LLC

  公开号：US20170208803A1

  公开（公告）日：2017-07-27

  This disclosure relates to the field of molecules having pesticidal utility against pests in Phyla Arthropoda, Mollusca, and Nematoda, processes to produce such molecules, intermediates used in such processes, compositions containing such molecules, and processes of using such molecules and compositions against such pests. These molecules and compositions may be used, for example, as acaricides, insecticides, miticides, molluscicides, and nematicides. This document discloses molecules having the following formula (“Formula One”).

  这份披露涉及具有对节肢动物门、软体动物门和线虫门害虫具有杀虫效用的分子领域，用于生产这种分子的过程，用于这种过程的中间体，含有这种分子的组合物，以及使用这种分子和组合物对抗这些害虫的过程。这些分子和组合物可以用作杀螨剂、杀虫剂、杀螨剂、杀软体动物剂和杀线虫剂。本文件披露了具有以下式（“式一”）的分子。
• [EN] BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE<br/>[FR] COMPOSÉS DE BENZOXAZÉPINE SÉLECTIFS POUR PI3K P110 DELTA ET LEURS MÉTHODES D'UTILISATION
  申请人：HOFFMANN LA ROCHE

  公开号：WO2012126901A1

  公开（公告）日：2012-09-27

  Benzoxazepin Formula (I) compounds, including stereoisomers, geometric isomers, tautomers, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting the delta isoform of PI3K, and for treating disorders mediated by lipid kinases such as inflammation, immunological disorders, and cancer. Methods of using compounds of Formula (I) for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  Benzoxazepin Formula (I) 化合物，包括立体异构体、几何异构体、互变异构体、代谢物和药学上可接受的盐，对于抑制PI3K的δ异构体以及治疗由脂质激酶介导的炎症、免疫性疾病和癌症是有用的。本文还揭示了使用Formula (I) 化合物在哺乳动物细胞中进行体外、体内和原位诊断、预防或治疗此类疾病或相关病理情况的方法。
• Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto
  申请人：Dow AgroSciences LLC

  公开号：US10251394B2

  公开（公告）日：2019-04-09

  This disclosure relates to the field of molecules having pesticidal utility against pests in Phyla Arthropoda, Mollusca, and Nematoda, processes to produce such molecules, intermediates used in such processes, compositions containing such molecules, and processes of using such molecules and compositions against such pests. These molecules and compositions may be used, for example, as acaricides, insecticides, miticides, molluscicides, and nematicides. This document discloses molecules having the following formula (“Formula One”).

  本公开涉及对节肢动物门、软体动物门和线虫动物门中的害虫具有杀虫作用的分子、生产此类分子的工艺、用于此类工艺的中间体、含有此类分子的组合物以及使用此类分子和组合物对付此类害虫的工艺。这些分子和组合物可用作杀螨剂、杀虫剂、杀螨剂、杀软体动物剂和杀线虫剂等。本文件公开了具有下式（"式一"）的分子。
• US9090628B2
  申请人：——

  公开号：US9090628B2

  公开（公告）日：2015-07-28