2-(叔丁基)-4-(三氟甲基)硝基苯 | 1234422-05-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(叔丁基)-4-(三氟甲基)硝基苯
• 英文名称: 2-(tert-butyl)-4-(trifluoromethyl)nitrobenzene
• 英文别名: 2-tert-butyl-1-nitro-4-(trifluoromethyl)benzene
• CAS: 1234422-05-9
• 化学式: C₁₁H₁₂F₃NO₂
• 分子量: 247.217
• InChiKey: NUMWJWKUFULFMN-UHFFFAOYSA-N

物化性质

• 沸点：
  254.0±40.0 °C(Predicted)
• 密度：
  1.227±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(叔丁基)-4-(三氟甲基)硝基苯 、 Diphenylphosphine oxide 在 dirhodium tetraacetate 作用下， 以 甲苯 为溶剂， 反应 7.0h， 以58%的产率得到6-(t-butyl)-2-(diphenylphosphinoyloxy)-4-(trifluoromethyl)aniline
  参考文献：
  名称：

  Synthesis of o-(diphenylphosphinoyloxy)anilines by the rhodium-catalyzed reaction of nitroarenes and diphenylphosphine oxide

  摘要：

  A rhodium complex Rh(2)(OAc)(4) catalyzed the reaction of nitrobenzenes and diphenylphosphine oxide HP(=O)Ph(2) giving o-(diphenylphosphinoyloxy)anilines predominantly, which were accompanied by small amounts of the p-isomers. Nitorobenzenes possessing a bulky o-substituent, particularly o-(t-butyl)nitrobenzenes, underwent the reaction in high yields. The reaction is considered to involve the reductive formation of O-phosphinoyl-N-arylhydroxyamines from nitrobenzenes, and o-phosphinoyloxylation by the rearrangement. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.04.029
• 作为产物：
  描述：

  sodium 2,2,2-trifluoroacetate 、 4-溴-2-叔丁基-1-硝基苯 在 copper(l) iodide 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 24.0h， 以61%的产率得到2-(叔丁基)-4-(三氟甲基)硝基苯
  参考文献：
  名称：

  Synthesis of o-(diphenylphosphinoyloxy)anilines by the rhodium-catalyzed reaction of nitroarenes and diphenylphosphine oxide

  摘要：

  A rhodium complex Rh(2)(OAc)(4) catalyzed the reaction of nitrobenzenes and diphenylphosphine oxide HP(=O)Ph(2) giving o-(diphenylphosphinoyloxy)anilines predominantly, which were accompanied by small amounts of the p-isomers. Nitorobenzenes possessing a bulky o-substituent, particularly o-(t-butyl)nitrobenzenes, underwent the reaction in high yields. The reaction is considered to involve the reductive formation of O-phosphinoyl-N-arylhydroxyamines from nitrobenzenes, and o-phosphinoyloxylation by the rearrangement. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.04.029

文献信息

• LUCIFERIN DERIVATIVES FROM BICYCLIC REACTANTS AND AMINOTHIOL DERIVATIVES AND METHODS OF USE THEREOF
  申请人：The Regents of the University of California

  公开号：US20190290784A1

  公开（公告）日：2019-09-26

  The present disclosure features a condensation reaction and a luciferin-unmasking reaction that can be carried out under physiological conditions. In general, the condensation reaction involves reacting a bicyclic reactant with an aminothiol derivative, generating a luciferin or luciferin derivative. A luciferin can provide detectable luminescence. A luciferin derivative can be unmasked to provide detectable luminescence in a luciferin-unmasking reaction. The present disclosure provides bicyclic reactants and aminothiol derivatives suitable for use in the condensation reaction. The condensation and luciferin-unmasking reactions find use in a variety of applications, which are also provided.
• Synthesis of o-(diphenylphosphinoyloxy)anilines by the rhodium-catalyzed reaction of nitroarenes and diphenylphosphine oxide
  作者：Mieko Arisawa、Manabu Kuwajima、Masahiko Yamaguchi

  DOI：10.1016/j.tetlet.2010.04.029

  日期：2010.6

  A rhodium complex Rh(2)(OAc)(4) catalyzed the reaction of nitrobenzenes and diphenylphosphine oxide HP(=O)Ph(2) giving o-(diphenylphosphinoyloxy)anilines predominantly, which were accompanied by small amounts of the p-isomers. Nitorobenzenes possessing a bulky o-substituent, particularly o-(t-butyl)nitrobenzenes, underwent the reaction in high yields. The reaction is considered to involve the reductive formation of O-phosphinoyl-N-arylhydroxyamines from nitrobenzenes, and o-phosphinoyloxylation by the rearrangement. (C) 2010 Elsevier Ltd. All rights reserved.