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Factory Supply Industrial Grade 3,4,5-Trifluoronitrobenzene 66684-58-0 with Best Price
- Molecular Formula: C6H2F3NO2
- Molecular Weight: 177.083
- Appearance/Colour: light yellow crystal
- Vapor Pressure: 0.007mmHg at 25°C
- Refractive Index: n20/D 1.486(lit.)
- Boiling Point: 208.6 °C at 760 mmHg
- Flash Point: 79.9 °C
- PSA： 45.82000
- Density: 1.554 g/cm3
- LogP: 2.53530
3,4,5-Trifluoronitrobenzene(Cas 66684-58-0) Usage
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Chemical Composition and Structure |
1,2,3-Trifluoro-5-nitrobenzene, also known as 3,4,5-trifluoronitrobenzene, consists of a benzene ring substituted with three fluorine atoms and one nitro group. |
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Uses and Mechanism of Action |
Chemical Synthesis:
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Production Methods |
Synthesized through aromatic nucleophilic substitution reactions and Ullmann reactions with appropriate precursors.[2] |
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Analysis Method |
Analytical methods for the characterization of 1,2,3-Trifluoro-5-nitrobenzene may include techniques such as spectroscopy, chromatography, and elemental analysis for structural and compositional analysis. |
InChI:InChI=1/C7H5F2NO3/c1-13-5-3-2-4(10(11)12)6(8)7(5)9/h2-3H,1H3
66684-58-0 Relevant articles
Copper-catalyzed hydrodefluorination of fluoroarenes by copper hydride intermediates
Lv, Hongbin,Cai, Yuan-Bo,Zhang, Jun-Long
, p. 3203 - 3207 (2013/04/23)
Breaking bad: Efficient copper-catalyzed...
Catalytic C-F bond activation of perfluoroarenes by tricoordinated gold(I) complexes
Zhan, Jin-Hui,Lv, Hongbin,Yu, Yi,Zhang, Jun-Long
, p. 1529 - 1541 (2012/07/14)
We report the first example of gold cata...
A PROCESS FOR THE PREPARATION OF 3,4,5-TRIFLUORONITROBENZENE
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Page 7; 8-9, (2008/06/13)
The present invention relates to a proce...
RHO-KINASE INHIBITORS
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Page/Page column 20, (2008/06/13)
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66684-58-0 Process route
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5580-79-0
2,3,4,5-tetrafluoro-1-nitrobenzene
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66684-57-9
1,2,5-trifluoro-3-nitrobenzene
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66684-58-0
3,4,5-trifluoronitrobenzene
Conditions
| Conditions | Yield |
|---|---|
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With
4,5-bis-(di-tert-butyl-phosphanyl)-9,9-dimethyl-9H-xanthene; [t-BuXantphosAu]+[Cl-Au-Cl]-; diphenylsilane; acetic acid;
In
1,2-dichloro-ethane;
at 80 ℃;
for 24h;
Inert atmosphere;
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|
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With
Dimethylphenylsilane; o-phenylenebis(diphenylphosphine); potassium tert-butylate; copper(l) chloride;
In
tetrahydrofuran;
for 12h;
Overall yield = 100 %Spectr.; regioselective reaction;
Inert atmosphere;
Reflux;
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-
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880-78-4
pentafluoronitrobenzen
-
-
66684-57-9
1,2,5-trifluoro-3-nitrobenzene
-
-
66684-58-0
3,4,5-trifluoronitrobenzene
Conditions
| Conditions | Yield |
|---|---|
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Multi-step reaction
with
2
steps
1: 4,5-bis-(di-tert-butyl-phosphanyl)-9,9-dimethyl-9H-xanthene; [t-BuXantphosAu]+
[Cl-Au-Cl]-
; diphenylsilane; acetic acid / 1,2-dichloro-ethane / 24 h / 80 °C / Inert atmosphere
2: 4,5-bis-(di-tert-butyl-phosphanyl)-9,9-dimethyl-9H-xanthene; [t-BuXantphosAu]+
[Cl-Au-Cl]-
; diphenylsilane; acetic acid / 1,2-dichloro-ethane / 24 h / 80 °C / Inert atmosphere
With
4,5-bis-(di-tert-butyl-phosphanyl)-9,9-dimethyl-9H-xanthene; [t-BuXantphosAu]+[Cl-Au-Cl]-; diphenylsilane; acetic acid;
In
1,2-dichloro-ethane;
|
|
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Multi-step reaction
with
2
steps
1: Xantphos; [xantphos(AuCl)]; diphenylsilane; trifluoroacetic acid / 1,2-dichloro-ethane / 24 h / 80 °C / Inert atmosphere
2: 4,5-bis-(di-tert-butyl-phosphanyl)-9,9-dimethyl-9H-xanthene; [t-BuXantphosAu]+
[Cl-Au-Cl]-
; diphenylsilane; acetic acid / 1,2-dichloro-ethane / 24 h / 80 °C / Inert atmosphere
With
4,5-bis-(di-tert-butyl-phosphanyl)-9,9-dimethyl-9H-xanthene; [xantphos(AuCl)]; Xantphos; [t-BuXantphosAu]+[Cl-Au-Cl]-; diphenylsilane; acetic acid; trifluoroacetic acid;
In
1,2-dichloro-ethane;
|
|
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Multi-step reaction
with
2
steps
1: Dimethylphenylsilane; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; tetrakis(actonitrile)copper(I) hexafluorophosphate / hexane / 12 h / Inert atmosphere; Reflux
2: copper(l) chloride; potassium tert
-butylate; Dimethylphenylsilane; o-phenylenebis(diphenylphosphine) / tetrahydrofuran / 12 h / Inert atmosphere; Reflux
With
tetrakis(actonitrile)copper(I) hexafluorophosphate; Dimethylphenylsilane; o-phenylenebis(diphenylphosphine); potassium tert-butylate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; copper(l) chloride;
In
tetrahydrofuran; hexane;
|
|
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Multi-step reaction
with
2
steps
1: Dimethylphenylsilane; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; tetrakis(actonitrile)copper(I) hexafluorophosphate / toluene / 12 h / Inert atmosphere; Reflux
2: copper(l) chloride; potassium tert
-butylate; Dimethylphenylsilane; o-phenylenebis(diphenylphosphine) / tetrahydrofuran / 12 h / Inert atmosphere; Reflux
With
tetrakis(actonitrile)copper(I) hexafluorophosphate; Dimethylphenylsilane; o-phenylenebis(diphenylphosphine); potassium tert-butylate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; copper(l) chloride;
In
tetrahydrofuran; toluene;
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66684-58-0 Upstream products
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163733-96-8
3,4,5-trifluoro aniline
-
148416-38-0
6-nitro-2,3,4-trifluoroaniline
-
880-78-4
pentafluoronitrobenzen
-
5580-79-0
2,3,4,5-tetrafluoro-1-nitrobenzene
66684-58-0 Downstream products
-
681425-49-0
3-(2,6-difluoro-4-nitrophenyl)-3-azabicyclo[3.1.0]hexane
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681425-44-5
(1α,5α,6α)-3-(2,6-difluoro-4-nitrophenyl)-3-azabicyclo[3.1.0]hexan-1-ol
-
681424-88-4
(1α,5α,6α)-3-(2,6-difluoro-4-nitrophenyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid tert-butyl ester
-
504438-19-1
[(1α,5α,6α)-3-(2,6-difluoro-4-nitrophenyl)-3-azabicyclo[3.1.0]hex-6-yl]carbamic acid tert-butyl ester
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