3-(4-nitrophenyl)-1,1,1-trifluoroacetone | 615564-80-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(4-nitrophenyl)-1,1,1-trifluoroacetone
• 英文别名: 1,1,1-trifluoro-3-(4-nitrobenzyl)acetone；1,1,1-Trifluoro-3-(4-nitrophenyl)acetone；1,1,1-trifluoro-3-(4-nitrophenyl)propan-2-one
• CAS: 615564-80-2
• 化学式: C₉H₆F₃NO₃
• 分子量: 233.147
• InChiKey: KOXHOGHOWNIWSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  62.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-(4-nitrophenyl)-1,1,1-trifluoroacetone 在 甲酸 、 formamide 作用下， 反应 1.0h， 以65%的产率得到3-(4-nitrophenyl)-1,1,1-trifluoropropan-2-ol
  参考文献：
  名称：

  在Leuckart-Wallach反应条件下，由叔丁氧基-β-（三氟甲基）苯乙烯和三氟甲基苄基酮合成三氟甲醇

  摘要：

  阐述了在Leuckart-Wallach反应条件下，叔丁氧基-β-（三氟甲基）苯乙烯或相应的三氟甲基苄基酮的意外反应导致的向三氟甲基醇的新途径。

  DOI：

  10.1016/j.jfluchem.2008.06.014
• 作为产物：
  描述：

  1-[(1Z)-2-tert-butoxy-3,3,3-trifluoroprop-1-enyl]-4-nitrobenzene 在 氢溴酸 、 溶剂黄146 作用下， 以 水 为溶剂， 反应 48.0h， 以56%的产率得到3-(4-nitrophenyl)-1,1,1-trifluoroacetone
  参考文献：
  名称：

  在Leuckart-Wallach反应条件下，由叔丁氧基-β-（三氟甲基）苯乙烯和三氟甲基苄基酮合成三氟甲醇

  摘要：

  阐述了在Leuckart-Wallach反应条件下，叔丁氧基-β-（三氟甲基）苯乙烯或相应的三氟甲基苄基酮的意外反应导致的向三氟甲基醇的新途径。

  DOI：

  10.1016/j.jfluchem.2008.06.014

文献信息

• CYCLOOXYGENASE-2 SELECTIVE AGENTS USEFUL AS IMAGING PROBES AND RELATED METHODS
  申请人：Toyokuni Tatsushi

  公开号：US20070286801A1

  公开（公告）日：2007-12-13

  This invention provides novel cyclooxygenase-2 selective agents that are particularly useful as imaging probes in non-invasive imaging techniques, such as PET and SPECT. Preferred cyclooxygenase-2 selective agents inhibit cyclooxygenase-2 activity with greater potency and specificity than conventional cyclooxygenase-2 inhibitors. Other aspects of the invention include pharmaceutical compositions including the cyclooxygenase-2 selective agents as well as methods for detecting and/or inhibiting cyclooxygenase-2. These methods are particularly useful for diagnosing and treating disorders, such as inflammation, which is characterized by elevated cyclooxygenase-2 levels.

  本发明提供了新颖的环氧合酶-2选择性药物，特别适用于非侵入性成像技术，如PET和SPECT的成像探针。优选的环氧合酶-2选择性药物比传统的环氧合酶-2抑制剂具有更强的效力和特异性。本发明的其他方面包括包括环氧合酶-2选择性药物的制药组合物以及检测和/或抑制环氧合酶-2的方法。这些方法特别适用于诊断和治疗疾病，如以升高的环氧合酶-2水平为特征的炎症。
• Regioselectivity of the protonation of captodative enamines bearing a CF3 group
  作者：Alexander Yu. Rulev、Igor A. Ushakov

  DOI：10.1016/j.jfluchem.2009.10.001

  日期：2010.1

  Capodative enamines bearing a CF3 group are protonated at the N- or beta-C-atom depending on the structure of the initial base and the nature of protonating reagent. (C) 2009 Elsevier B.V. All rights reserved.
• US7329401B2
  申请人：——

  公开号：US7329401B2

  公开（公告）日：2008-02-12
• [EN] CYCLOOXYGENASE-2 SELECTIVE AGENTS USEFUL AS IMAGING PROBES AND RELATED METHODS<br/>[FR] AGENTS SELECTIFS EN FAVEUR DE LA CYCLOOXYGENASE-2 UTILES EN TANT QUE SONDES D'IMAGERIE ET PROCEDES CONNEXES
  申请人：UNIV CALIFORNIA

  公开号：WO2003089013A1

  公开（公告）日：2003-10-30

  This invention provides novel cyclooxygenase-2 selective agents that are particularly useful as imaging probes in non-invasive imaging techniques, such as PET and SPECT. Preferred cyclooxygenase-2 selective agents inhibit cyclooxygenase-2 activity with greater potency and specificity than conventional cyclooxygenase-2 inhibitors. Other aspects of the invention include pharmaceutical compositions including the cyclooxygenase-2 selective agents as well as methods for detecting and/or inhibiting cyclooxygenase-2. These methods are particularly useful for diagnosing and treating disorders, such as inflammation, which is characterized by elevated cyclooxygenase-2 levels.
• Synthesis of trifluoromethyl alcohols from tert-butoxy-β-(trifluoromethyl)styrenes and trifluoromethylbenzyl ketones under the conditions of the Leuckart–Wallach reaction
  作者：Vasiliy M. Muzalevskiy、Valentine G. Nenajdenko、Aleksey V. Shastin、Elizabeth S. Balenkova、Günter Haufe

  DOI：10.1016/j.jfluchem.2008.06.014

  日期：2008.10

  A novel pathway towards trifluoromethylalcohols by an unexpected reaction of tert-butoxy-β-(trifluoromethyl)styrenes or corresponding trifluoromethylbenzyl ketones under the conditions of the Leuckart–Wallach reaction was elaborated.

  阐述了在Leuckart-Wallach反应条件下，叔丁氧基-β-（三氟甲基）苯乙烯或相应的三氟甲基苄基酮的意外反应导致的向三氟甲基醇的新途径。