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CAS No.: | 121602-93-5 |
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Name: | 3,4,5-Trifluorobenzoic acid |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C7H3F3O2 |
Molecular Weight: | 176.095 |
Synonyms: | 3,4,5-Trifluorobenzoicacid;3,4,5-trifluorobenzoate; |
EINECS: | 624-063-4 |
Density: | 1.536 g/cm3 |
Melting Point: | 95-99 °C |
Boiling Point: | 251.4 °C at 760 mmHg |
Flash Point: | 105.9 °C |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 37.30000 |
LogP: | 1.80210 |
carbon dioxide
3,4,5-trifluoro-1-bromobenzene
3,4,5-trifluorobenzoic acid
Conditions | Yield |
---|---|
With n-butyllithium In diethyl ether; hexane at -75℃; for 0.25h; | 93% |
Stage #1: 3,4,5-trifluoro-1-bromobenzene With magnesium Metallation; Stage #2: carbon dioxide Carboxylation; Grignard reaction; |
4-Fluorobenzoic acid
A
2,3,4,5-tetrafluorobenzoic acid
B
3,4-Difluorobenzoic acid
C
2,4,5-trifluorobenzoic acid
D
2,3,4,-trifluorobenzoic acid
E
3,4,5-trifluorobenzoic acid
F
2,4-difluoro-benzoic acid
Conditions | Yield |
---|---|
With fluorine In sulfuric acid Product distribution; various substrate to fluorine ratios; also in 98percent HCOOH; |
Pentafluorobenzoic acid
A
2,3,4,5-tetrafluorobenzoic acid
B
3,4,5-trifluorobenzoic acid
Conditions | Yield |
---|---|
With 1,10-Phenanthroline; nickel dichloride; zinc In water; N,N-dimethyl-formamide at 50℃; for 6h; Product distribution; Further Variations:; Reagents; Temperatures; reaction time; Hydrodefluorination; |
1,2,3-trifluorobenzene
3,4,5-trifluorobenzoic acid
Conditions | Yield |
---|---|
Multi-step reaction with 5 steps 1: 91 percent / sec-butyllithium / tetrahydrofuran; cyclohexane / 1.5 h / -75 °C 2: 95 percent / bromine / CCl4 / Heating 3: diisopropylamine; butyllithium / hexane; tetrahydrofuran / 2 h / -75 °C 4: 89 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C 5: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C View Scheme | |
Multi-step reaction with 6 steps 1: 91 percent / sec-butyllithium / tetrahydrofuran; cyclohexane / 1.5 h / -75 °C 2: 95 percent / bromine / CCl4 / Heating 3: 67 percent / diisopropylamine; butyllithium; tetrabromomethane / hexane; tetrahydrofuran / 2 h / -75 °C 4: 92 percent / butylmagnesium chloride; butyllithium / tetrahydrofuran; hexane; toluene / 0.75 h / 0 °C 5: 89 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C 6: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C View Scheme | |
Multi-step reaction with 4 steps 1.1: 91 percent / sec-butyllithium / tetrahydrofuran; cyclohexane / 1.5 h / -75 °C 2.1: 95 percent / bromine / CCl4 / Heating 3.1: diisopropylamine; butyllithium / tetrahydrofuran; hexane / 2 h / -75 °C 3.2: 75 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C 4.1: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C View Scheme |
1,2-dibromo-3,4,5-trifluorobenzene
3,4,5-trifluorobenzoic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 89 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C 2: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C View Scheme |
1,5-dibromo-2,3,4-trifluorobenzene
3,4,5-trifluorobenzoic acid
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: diisopropylamine; butyllithium / hexane; tetrahydrofuran / 2 h / -75 °C 2: 89 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C 3: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C View Scheme | |
Multi-step reaction with 4 steps 1: 67 percent / diisopropylamine; butyllithium; tetrabromomethane / hexane; tetrahydrofuran / 2 h / -75 °C 2: 92 percent / butylmagnesium chloride; butyllithium / tetrahydrofuran; hexane; toluene / 0.75 h / 0 °C 3: 89 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C 4: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C View Scheme | |
Multi-step reaction with 2 steps 1.1: diisopropylamine; butyllithium / tetrahydrofuran; hexane / 2 h / -75 °C 1.2: 75 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C 2.1: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C View Scheme |
1,2,3-tribromo-4,5,6-trifluoro-benzene
3,4,5-trifluorobenzoic acid
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 92 percent / butylmagnesium chloride; butyllithium / tetrahydrofuran; hexane; toluene / 0.75 h / 0 °C 2: 89 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C 3: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C View Scheme |
1-bromo-2,3,4-trifluorobenzene
3,4,5-trifluorobenzoic acid
Conditions | Yield |
---|---|
Multi-step reaction with 5 steps 1: 92 percent / diisopropylamine; butyllithium / hexane; tetrahydrofuran / 2 h / -75 °C 2: 93 percent / bromine / CCl4 / 36 h / Heating 3: diisopropylamine; butyllithium / hexane; tetrahydrofuran / 2 h / -75 °C 4: 89 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C 5: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C View Scheme | |
Multi-step reaction with 6 steps 1: 92 percent / diisopropylamine; butyllithium / hexane; tetrahydrofuran / 2 h / -75 °C 2: 93 percent / bromine / CCl4 / 36 h / Heating 3: 67 percent / diisopropylamine; butyllithium; tetrabromomethane / hexane; tetrahydrofuran / 2 h / -75 °C 4: 92 percent / butylmagnesium chloride; butyllithium / tetrahydrofuran; hexane; toluene / 0.75 h / 0 °C 5: 89 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C 6: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C View Scheme | |
Multi-step reaction with 4 steps 1.1: 92 percent / diisopropylamine; butyllithium / hexane; tetrahydrofuran / 2 h / -75 °C 2.1: 93 percent / bromine / CCl4 / 36 h / Heating 3.1: diisopropylamine; butyllithium / tetrahydrofuran; hexane / 2 h / -75 °C 3.2: 75 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C 4.1: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C View Scheme |
(5-bromo-2,3,4-trifluorophenyl)triethylsilane
3,4,5-trifluorobenzoic acid
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: 93 percent / bromine / CCl4 / 36 h / Heating 2: diisopropylamine; butyllithium / hexane; tetrahydrofuran / 2 h / -75 °C 3: 89 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C 4: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C View Scheme | |
Multi-step reaction with 5 steps 1: 93 percent / bromine / CCl4 / 36 h / Heating 2: 67 percent / diisopropylamine; butyllithium; tetrabromomethane / hexane; tetrahydrofuran / 2 h / -75 °C 3: 92 percent / butylmagnesium chloride; butyllithium / tetrahydrofuran; hexane; toluene / 0.75 h / 0 °C 4: 89 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C 5: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C View Scheme | |
Multi-step reaction with 3 steps 1.1: 93 percent / bromine / CCl4 / 36 h / Heating 2.1: diisopropylamine; butyllithium / tetrahydrofuran; hexane / 2 h / -75 °C 2.2: 75 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C 3.1: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C View Scheme |
2,3,4-trifluoro-1,5-phenylenebis(triethylsilane)
3,4,5-trifluorobenzoic acid
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: 95 percent / bromine / CCl4 / Heating 2: diisopropylamine; butyllithium / hexane; tetrahydrofuran / 2 h / -75 °C 3: 89 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C 4: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C View Scheme | |
Multi-step reaction with 5 steps 1: 95 percent / bromine / CCl4 / Heating 2: 67 percent / diisopropylamine; butyllithium; tetrabromomethane / hexane; tetrahydrofuran / 2 h / -75 °C 3: 92 percent / butylmagnesium chloride; butyllithium / tetrahydrofuran; hexane; toluene / 0.75 h / 0 °C 4: 89 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C 5: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C View Scheme | |
Multi-step reaction with 3 steps 1.1: 95 percent / bromine / CCl4 / Heating 2.1: diisopropylamine; butyllithium / tetrahydrofuran; hexane / 2 h / -75 °C 2.2: 75 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C 3.1: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C View Scheme |
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