N-乙基-2,2,2-三氟乙烷胺 | 58171-47-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N-乙基-2,2,2-三氟乙烷胺
• 英文名称: N-ethyl-N-(trifluoromethyl)amine
• 英文别名: ethyl(2,2,2-trifluoroethyl)amine；2,2,2-trifluoroethyl-1-ethylamine；N-(2,2,2-trifluoroethyl)-N-ethylamine；2,2,2-trifluoro-ethyl N-ethylamine；N-Ethyl-2,2,2-trifluoroethanamine
• CAS: 58171-47-4
• 化学式: C₄H₈F₃N
• mdl: MFCD09811395
• 分子量: 127.109
• InChiKey: GFQKFGQPVBTZOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2921199090

反应信息

• 作为反应物：
  描述：

  N-乙基-2,2,2-三氟乙烷胺 、 2,2-dimethyl-2H-1-benzopyran-6-sulfonyl chloride 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 2,2-dimethyl-2H-chromene-6-sulfonic acid ethyl-(2,2,2-trifluoro-ethyl)-amide
  参考文献：
  名称：

  Cardioselective Antiischemic ATP-Sensitive Potassium Channel (K_ATP) Openers. 6. Effect of Modifications at C6 of Benzopyranyl Cyanoguanidines

  摘要：

  The effect on potency and selectivity of modifications at the C6 position of the cardioprotective K-ATP Opener BMS-180448 (2) is described. Structure-activity studies show that a variety of electron-withdrawing groups (ketone, sulfone, sulfonamide, etc.) are tolerated for cardioprotective activity as measured by EC25 values for an increase in time to the onset of contracture in globally ischemic rat, hearts. Changes made to the sulfonamido substituent indicate that compounds derived from secondary lipophilic amines are preferred for good cardioprotective potency and selectivity. The diisobutyl analogue 27 (EC25 = 0.04 mu M) is the most potent compound of this series. The cardiac selectivity of 27 results from a combination of reduced vasorelaxant potency and enhanced cardioprotective potency relative to the potent vasodilating K-ATP openers (e.g., cromakalim). The diisobutylsulfonamide analogue 27 is over 4 orders of magnitude more cardiac selective than cromakalim (1), These results support the hypothesis that the cardioprotective and vasorelaxant properties of K-ATP openers follow distinct structure-activity relationships. The mechanism of action of 27 appears to involve opening of the cardiac K-ATP as its cardioprotective effects are abolished by the K-ATP blocker glyburide.

  DOI：

  10.1021/jm990196h
• 作为产物：
  描述：

  N-Ethyl-trifluoracetamid 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 72.0h， 以75%的产率得到N-乙基-2,2,2-三氟乙烷胺
  参考文献：
  名称：

  Ślebocka-Tilk; Bennet; Hogg, Heather J., Journal of the American Chemical Society, 1991, vol. 113, # 4, p. 1288 - 1294

  摘要：

  DOI：

文献信息

• Herbicidally active dihalogenated imidazolecarboxylic acid amides,
  申请人：Bayer Aktiengesellschaft

  公开号：US04402732A1

  公开（公告）日：1983-09-06

  A dihalo-imidazolecarboxylic acid amide of the formula ##STR1## in which X each independently is chlorine or bromine, R.sup.1 is fluoroalkyl or fluorochloroalkyl, and R.sup.2 is hydrogen or alkyl which possesses herbicidal activity and novel intermediates there

  化学式为##STR1##的二卤咪唑羧酸酰胺，其中X分别为氯或溴，R.sup.1为氟烷基或氟氯烷基，R.sup.2为氢或具有除草活性的烷基，以及其新颖中间体。
• Herbicidally active fluorine-containing 4,6-diamino-s-triazines
  申请人：Bayer Aktiengesellschaft

  公开号：US04459151A1

  公开（公告）日：1984-07-10

  Fluorine-containing 4,6-diamino-s-triazines of the formula ##STR1## wherein X is a chlorine atom, an alkoxy radical having 1 to 4 carbon atoms, an alkylthio radical having 1 to 4 carbon atoms or the azide radical, R.sup.1, R.sup.2 and R.sup.3 each independently is a hydrogen atom or an aliphatic radical, and R.sup.4 is a fluoroalkyl or fluorochloroalkyl radical, which possess herbicidal activity. Intermediates wherein X is chlorine and --NR.sup.1 R.sup.2 is replaced by chlorine are also new.

  含氟的4,6-二氨基-s-三嗪的化学式为##STR1##，其中X是氯原子，具有1至4个碳原子的烷氧基基团，具有1至4个碳原子的烷基硫基基团或偶氮基团，R.sup.1、R.sup.2和R.sup.3各自独立地是氢原子或脂肪基，R.sup.4是氟烷基或氟氯烷基基团，具有除草活性。其中X为氯且-NR.sup.1 R.sup.2被氯取代的中间体也是新的。
• [EN] ERGOLINE DERIVATIVES FOR USE IN MEDICINE<br/>[FR] DÉRIVÉS D'ERGOLINE DESTINÉS À ÊTRE UTILISÉS EN MÉDECINE
  申请人：XOC PHARMACEUTICALS INC

  公开号：WO2018223065A1

  公开（公告）日：2018-12-06

  The present invention provides novel neuromodulatory compounds and compositions thereof. The invention also relates to methods of treating various diseases, disorders, and conditions using the compounds of this invention; processes for preparing the compounds of this invention; as well as intermediates for the preparation compounds.

  本发明提供了新型神经调节化合物及其组合物。本发明还涉及使用本发明的化合物治疗各种疾病、疾病和疾病的方法；本发明的化合物的制备过程；以及制备化合物的中间体。
• 一种氟代环状含磷分子及其应用
  申请人：华南师范大学

  公开号：CN114507257B

  公开（公告）日：2023-04-18

  本发明属于电池新材料的技术领域，具体涉及一种氟代环状含磷分子及其应用。所述氟代环状含磷分子中，氟代基团在电池充放电过程中可形成稳定的无机SEI膜并能提高溶剂抗氧化性，其环状结构在电池循环过程中可以开环聚合形成的弹性有机SEI膜，有效减缓电极材料充放电过程的体积效应，将其用于非水系二次电池电解液中的溶剂或添加剂中，不仅能有效提升电池耐高压、安全性，还有利于高比能高安全且长循环的二次电池在电动汽车领域的推广应用，解决了现有二次电池电解液存在诸多性能上的缺点，以及制造和使用成本高的问题；本发明的氟代环状分子的合成方法简单、操作安全且产物纯度高，同时在锂/钠离子等二次电池中性能优异，适于广泛应用。
• 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2
  作者：Mark W. Ledeboer、Albert C. Pierce、John P. Duffy、Huai Gao、David Messersmith、Francesco G. Salituro、Suganthini Nanthakumar、Jon Come、Harmon J. Zuccola、Lora Swenson、Dina Shlyakter、Sudipta Mahajan、Thomas Hoock、Bin Fan、Wan-Jung Tsai、Elaine Kolaczkowski、Scott Carrier、James K. Hogan、Richard Zessis、S. Pazhanisamy、Youssef L. Bennani

  DOI：10.1016/j.bmcl.2009.10.053

  日期：2009.12

  Constitutive activation of the EPO/JAK2 signaling cascade has recently been implicated in a variety of myeloproliferative disorders including polycythemia vera, essential thrombocythemia and myelofibrosis. In an effort to uncover therapeutic potential of blocking the EPO/JAK2 signaling cascade, we sought to discover selective inhibitors that block the kinase activity of JAK2. Herein, we describe the discovery and structure based optimization of a novel series of 2-amino-pyrazolo[1,5-a]pyrimidines that exhibit potent inhibition of JAK2. (C) 2009 Elsevier Ltd. All rights reserved.