sodium carbonate
1-bromo-3-fluoro-4-iodobenzene
phenylboronic acid
1-bromo-3-fluoro-4-phenylbenzene
Conditions | Yield |
---|---|
palladium In fluorobenzene; nitrogen | 87% |
Pd on carbon; palladium dichloride In fluorobenzene; concentrated ethanol | 55% |
4-bromo-2-fluoroaniline
1-bromo-3-fluoro-4-phenylbenzene
Conditions | Yield |
---|---|
83% |
Conditions | Yield |
---|---|
With i-propyl nitrite; copper(l) chloride at 20℃; for 3h; | 76% |
With methyl nitrite; copper(l) chloride at 43 - 50℃; for 1.83333h; | 75% |
1-bromo-3-fluoro-4-phenylbenzene
Conditions | Yield |
---|---|
With pyridinium hydrobromide perbromide In tetrahydrofuran; water at 20℃; for 0.666667h; chemoselective reaction; | 74% |
1-bromo-3-fluoro-4-iodobenzene
phenylboronic acid
1-bromo-3-fluoro-4-phenylbenzene
Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In ethanol; toluene for 5h; Reflux; | 70% |
Conditions | Yield |
---|---|
With palladium diacetate In water at 20℃; for 72h; Suzuki-Miyaura Coupling; Inert atmosphere; | 30% |
Conditions | Yield |
---|---|
With hydrogenchloride; sodium nitrite In methanol; water; acetic acid; benzene | 64.6 grams (51.5%) |
With hydrogenchloride; sodium nitrite In methanol; water; acetic acid; benzene | 64.6 grams (51.5%) |
4-bromo-2-amino-1,1'-biphenyl
1-bromo-3-fluoro-4-phenylbenzene
2-phenylpropionic acid methyl ester
1-bromo-3-fluoro-4-phenylbenzene
Conditions | Yield |
---|---|
With tri-tert-butyl phosphine; lithium dicyclohexylamide; P(dba)2 In toluene at 20℃; for 15h; | 97% |
1-bromo-3-fluoro-4-phenylbenzene
zinc(II) chloride
Conditions | Yield |
---|---|
Stage #1: 1-bromo-3-fluoro-4-phenylbenzene With magnesium; lithium chloride In tetrahydrofuran at 25℃; Schlenk technique; Inert atmosphere; Stage #2: zinc(II) chloride In tetrahydrofuran at 0 - 25℃; for 0.25h; Schlenk technique; Inert atmosphere; | 96% |
With magnesium; lithium chloride In tetrahydrofuran at 0℃; Inert atmosphere; | |
Stage #1: 1-bromo-3-fluoro-4-phenylbenzene With magnesium; lithium chloride In tetrahydrofuran at 20℃; Inert atmosphere; Schlenk technique; Heating; Stage #2: zinc(II) chloride In tetrahydrofuran at 0 - 20℃; Inert atmosphere; Schlenk technique; |
1-bromo-3-fluoro-4-phenylbenzene
phenylacetylene
Conditions | Yield |
---|---|
With potassium carbonate; palladium dichloride; catacxium A In N,N-dimethyl-formamide at 60℃; for 16h; Sonogashira Cross-Coupling; Inert atmosphere; Sealed tube; | 96% |
potassium 2-cyanopropanoate
1-bromo-3-fluoro-4-phenylbenzene
α-methyl-(2-fluoro-4-biphenylyl)acetonitrile
Conditions | Yield |
---|---|
With bis(η3-allyl-μ-chloropalladium(II)); 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In 1,3,5-trimethyl-benzene at 20 - 140℃; for 3.16667h; Inert atmosphere; Sealed tube; chemoselective reaction; | 95% |
1-bromo-3-fluoro-4-phenylbenzene
Conditions | Yield |
---|---|
With 1,1'-bis(diisopropylphosphino)ferrocene; Pd(dippf)maleimide; sodium t-butanolate In toluene at 120℃; for 24h; Inert atmosphere; | 94% |
acetic acid tert-butyl ester
1-bromo-3-fluoro-4-phenylbenzene
Conditions | Yield |
---|---|
With tri-tert-butyl phosphine; lithium dicyclohexylamide; bis(dibenzylideneacetone)-palladium(0) In toluene at 20℃; for 15h; | 93% |
1-bromo-3-fluoro-4-phenylbenzene
2-fluorobiphenyl
Conditions | Yield |
---|---|
With hydrogen; triethylamine In methanol; water at 120℃; under 22502.3 Torr; for 46h; Autoclave; | 93% |
With hydrogen; triethylamine In methanol; water at 120℃; under 22502.3 Torr; | 93% |
With lithium aluminium tetrahydride; niobium pentachloride In 1,2-dimethoxyethane for 0.5h; Heating; | 40% |
With iron(III)-acetylacetonate; tert-butylmagnesium chloride In tetrahydrofuran at 0℃; for 1.5h; Inert atmosphere; | 86 %Chromat. |
1-bromo-3-fluoro-4-phenylbenzene
trimethylsilylacetylene
Conditions | Yield |
---|---|
Stage #1: 1-bromo-3-fluoro-4-phenylbenzene; trimethylsilylacetylene With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine In tetrahydrofuran at 55℃; for 24h; Sonogashira Cross-Coupling; Inert atmosphere; Schlenk technique; Sealed tube; Stage #2: With potassium carbonate In tetrahydrofuran; methanol at 20℃; for 2h; Inert atmosphere; Schlenk technique; Sealed tube; | 93% |
1-bromo-3-fluoro-4-phenylbenzene
diethyl malonate
Conditions | Yield |
---|---|
With potassium phosphate; tri-tert-butyl phosphine; bis(dibenzylideneacetone)-palladium(0) In toluene at 70℃; for 12h; | 91% |
With sodium hydride; copper(I) bromide 1.) dioxane, 17-20 deg C, 2.) dioxane, reflux, 6 h; Yield given. Multistep reaction; |
Methyl isobutyrate
1-bromo-3-fluoro-4-phenylbenzene
Conditions | Yield |
---|---|
With tri-tert-butyl phosphine; lithium dicyclohexylamide; bis(dibenzylideneacetone)-palladium(0) In toluene at 20℃; for 14h; | 91% |
Conditions | Yield |
---|---|
With 10H-phenothiazine; bis(μ-chloro)bis{(2-(1-(hydroxyimino)methyl)phenyl-C1,N)palladium(II)}; potassium acetate In N,N-dimethyl acetamide at 105℃; under 760.051 Torr; for 18h; Heck-Mizoroki reaction; Inert atmosphere; | 91% |
1-bromo-3-fluoro-4-phenylbenzene
pinacol vinylboronate
4-ethenyl-2-fluorobiphenyl
Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In 1,4-dioxane; water Inert atmosphere; Reflux; | 91% |
With PdCl2((S)-Xyl-phanephos); potassium carbonate In 1,4-dioxane; water at 101℃; for 17h; Inert atmosphere; | 59% |
Suzuki Coupling; |
1,1-bis(trimethylsilyloxy)prop-1-ene
1-bromo-3-fluoro-4-phenylbenzene
fluorobiprofen
Conditions | Yield |
---|---|
Stage #1: 1-bromo-3-fluoro-4-phenylbenzene With zinc(II) fluoride; tri-tert-butyl phosphine; bis(dibenzylideneacetone)-palladium(0) In toluene for 0.666667h; Inert atmosphere; Stage #2: 1,1-bis(trimethylsilyloxy)prop-1-ene In tetrahydrofuran; N,N-dimethyl-formamide; toluene at 80℃; for 12h; Sealed tube; Inert atmosphere; | 91% |
tert-butyl propionate
1-bromo-3-fluoro-4-phenylbenzene
Conditions | Yield |
---|---|
Stage #1: tert-butyl propionate With palladium diacetate; lithium hexamethyldisilazane; DavePhos In hexanes; toluene at -10℃; Inert atmosphere; Stage #2: 1-bromo-3-fluoro-4-phenylbenzene In hexanes; toluene at -10 - 80℃; Inert atmosphere; | 90% |
With palladium diacetate; lithium hexamethyldisilazane; DavePhos In toluene at 80℃; for 0.333333h; | 86% |
With 1,3-bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazolium tetrafluoroborate; sodium hexamethyldisilazane; bis(dibenzylideneacetone)-palladium(0) In toluene at 20℃; for 12h; | 66% |
methyl cyclohexylcarboxylate
1-bromo-3-fluoro-4-phenylbenzene
Conditions | Yield |
---|---|
With tri-tert-butyl phosphine; lithium dicyclohexylamide; bis(dibenzylideneacetone)-palladium(0) In toluene at 20℃; for 18h; | 90% |
benzyl 2-methylpropanoate
1-bromo-3-fluoro-4-phenylbenzene
Conditions | Yield |
---|---|
With tri-tert-butyl phosphine; lithium dicyclohexylamide; bis(dibenzylideneacetone)-palladium(0) In toluene at 20℃; for 12h; | 90% |
1-bromo-3-fluoro-4-phenylbenzene
4,4,5,5-tetramethyl-2-phenethyl-1,3,2-dioxaborolane
2-fluoro-4-phenethylbiphenyl
Conditions | Yield |
---|---|
With tris-(dibenzylideneacetone)dipalladium(0); sodium t-butanolate; ruphos In water; toluene at 80℃; for 24h; Suzuki coupling; Inert atmosphere; | 90% |
1-bromo-3-fluoro-4-phenylbenzene
acetyl chloride
4-acetyl-4'-bromo-2'-fluorobiphenyl
Conditions | Yield |
---|---|
With aluminium trichloride In various solvent(s) for 16h; Ambient temperature; | 88% |
With aluminium trichloride In various solvent(s) | |
With sodium bicarbonate; aluminium trichloride In dichloromethane; water | 96 g (82.2%) |
Conditions | Yield |
---|---|
Stage #1: 1-bromo-3-fluoro-4-phenylbenzene With tert.-butyl lithium In tetrahydrofuran; pentane at -78 - -40℃; for 0.75h; Inert atmosphere; Stage #2: N-tosyl-1,2-oxazetidine With N,N,N,N,-tetramethylethylenediamine In tetrahydrofuran; pentane at -55℃; for 1h; Inert atmosphere; | 88% |
1-bromo-3-fluoro-4-phenylbenzene
tetramethylammonium trifluoromethylselenate(0)
Conditions | Yield |
---|---|
With [2,2]bipyridinyl; bis(1,5-cyclooctadiene)nickel (0) In tetrahydrofuran at 20℃; for 12h; Inert atmosphere; | 86% |
1-bromo-3-fluoro-4-phenylbenzene
propionyl chloride
2-fluoro-4-bromo-4'-propionylbiphenyl
Conditions | Yield |
---|---|
With aluminium trichloride In various solvent(s) for 16h; Ambient temperature; | 85% |
With aluminium trichloride In various solvent(s) |
methanethiosulfonic acid S-methyl ester
1-bromo-3-fluoro-4-phenylbenzene
2-fluoro-4-(methylthio)biphenyl
Conditions | Yield |
---|---|
Stage #1: 1-bromo-3-fluoro-4-phenylbenzene With magnesium; lithium chloride In tetrahydrofuran at 25℃; for 0.5h; Inert atmosphere; Stage #2: methanethiosulfonic acid S-methyl ester In tetrahydrofuran at 0 - 25℃; Inert atmosphere; Stage #3: In tetrahydrofuran | 84% |
Conditions | Yield |
---|---|
Stage #1: 1-bromo-3-fluoro-4-phenylbenzene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5h; Inert atmosphere; Stage #2: cyclohexanone In tetrahydrofuran; hexane at -78 - 20℃; for 1.83333h; Inert atmosphere; | 84% |
1-bromo-3-fluoro-4-phenylbenzene
butyryl chloride
1-(4'-Bromo-2'-fluoro-biphenyl-4-yl)-butan-1-one
Conditions | Yield |
---|---|
With aluminium trichloride In various solvent(s) for 16h; Ambient temperature; | 83% |
methyl 2-methylbutanoate
1-bromo-3-fluoro-4-phenylbenzene
Conditions | Yield |
---|---|
With tri-tert-butyl phosphine; lithium dicyclohexylamide; bis(dibenzylideneacetone)-palladium(0) In toluene at 20℃; for 10h; | 83% |
1-bromo-3-fluoro-4-phenylbenzene
tert-butyl (3R)-3-({[(1S)-2,2-dimethyl-1-({[(1R)-1-phenylethyl]amino}carbonyl)propyl]amino}carbonyl)hex-5-enoate
C
tert-butyl (3R,5E)-3-({[(1S)-2,2-dimethyl-1-({[(1R)-1-phenylethyl]amino}carbonyl)propyl]amino}carbonyl)-6-[3-fluoro-(4-phenyl)phenyl]hex-5-enoate
Conditions | Yield |
---|---|
A n/a B n/a C 83% |
1-bromo-3-fluoro-4-phenylbenzene
phenylboronic acid
2'-fluoro-1,1':4',1''-terphenyl
Conditions | Yield |
---|---|
With potassium carbonate In ethanol; water at 75℃; for 12h; Suzuki-Miyaura Coupling; | 83% |
With potassium carbonate In ethanol; water for 0.333333h; Catalytic behavior; Suzuki-Miyaura Coupling; Heating; Green chemistry; | 60% |
The 2-Fluoro-4-bromo biphenyl, with the CAS registry number 41604-19-7 and EINECS registry number 255-453-9, has the systematic name of 4-bromo-2-fluoro-1-phenylbenzene. It is a kind of clear to yellow crystal, and belongs to the following product categories: Blocks; Bromides; Fluoro Compounds; Fluoro-Aromatics; Pharmaceutical intermediates; Biphenyl derivatives; Biphenyl & Diphenyl ether; Aryl; C9 to C12; Halogenated Hydrocarbons. The molecular formula of this chemical is C12H8BrF. What's more, it is usually used as medicine intermediate.
The physical properties of 2-Fluoro-4-bromo biphenyl are as following: (1)ACD/LogP: 5.38; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.38; (4)ACD/LogD (pH 7.4): 5.38; (5)ACD/BCF (pH 5.5): 7170.13; (6)ACD/BCF (pH 7.4): 7170.13; (7)ACD/KOC (pH 5.5): 20016; (8)ACD/KOC (pH 7.4): 20016; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 58.52 cm3; (15)Molar Volume: 175.1 cm3; (16)Polarizability: 23.2×10-24cm3; (17)Surface Tension: 39.2 dyne/cm; (18)Density: 1.433 g/cm3; (19)Flash Point: 138.3 °C; (20)Enthalpy of Vaporization: 51.72 kJ/mol; (21)Boiling Point: 298.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0022 mmHg at 25°C.
Uses of 2-Fluoro-4-bromo biphenyl: It can react with propionyl chloride to produce 1-(4'-bromo-2'-fluoro-biphenyl-4-yl)-propan-1-one. This reaction will need reagent anhydrous aluminium chloride. The reaction time is 16 hours with ambient temperature, and the yield is about 85%.
It is harmful if swallowed. Therefore, you had better wear suitable protective clothing, gloves and eye/face protection while dealing with this chemical.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc2cc(F)c(c1ccccc1)cc2
(2)InChI: InChI=1/C12H8BrF/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H
(3)InChIKey: HTRNHWBOBYFTQF-UHFFFAOYAH
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