Conditions | Yield |
---|---|
With carbon dioxide; bromine at 40℃; under 187519 Torr; for 2h; Supercritical conditions; Green chemistry; | 100% |
With N-Bromosuccinimide; boron trifluoride at 20℃; for 1h; | 96% |
With tribromo-isocyanuric acid In trifluoroacetic acid at 20℃; for 0.5h; | 74% |
Conditions | Yield |
---|---|
With boron tribromide; dimethyl sulfoxide at 80℃; for 1h; | 99% |
Conditions | Yield |
---|---|
With 1,3-bis(2,6-diisopropylphenyl)-2,2-difluoro-2,3-dihydro-1h-imidazole; cesium fluoride; diphenylzinc In toluene at 80℃; for 20h; Product distribution / selectivity; Sealed vial; | 95% |
With 1,3-bis(2,6-diisopropylphenyl)-2,2-difluoro-2,3-dihydro-1h-imidazole; cesium fluoride In toluene at 23 - 80℃; for 18.5h; Inert atmosphere; | 88 %Spectr. |
Conditions | Yield |
---|---|
With dibenzo-18-crown-6; N,N,N,N,-tetramethylethylenediamine; potassium bromide; copper(I) bromide; copper(ll) bromide In acetonitrile at 20℃; for 1h; Sandmeyer Reaction; | 94% |
With (triphenylphosphine)gold(I) chloride; sodium bromide In acetonitrile at 50℃; for 5h; Sandmeyer Reaction; | 81 %Spectr. |
With Bromotrichloromethane; tetrabutylammonium perchlorate In N,N-dimethyl-formamide at 20℃; for 3h; Sandmeyer Reaction; Electrochemical reaction; | 37 %Spectr. |
With lithium bromide In acetonitrile at 20℃; for 0.5h; Catalytic behavior; Reagent/catalyst; Time; Sandmeyer Reaction; Inert atmosphere; | 96 %Spectr. |
1-Bromo-4-fluorobenzene
Conditions | Yield |
---|---|
With tetrafluoroboric acid diethyl ether In tetradecafluorohexane at 100℃; for 1h; Balz-Schiemann reaction; Autoclave; solid phase reaction; | 88% |
Conditions | Yield |
---|---|
Stage #1: 4-fluoroaniline With boron trifluoride diethyl etherate; lithium bromide In acetonitrile at 0℃; for 0.166667h; Stage #2: With tert.-butylnitrite In acetonitrile at 0 - 20℃; for 1h; | 82% |
Stage #1: 4-fluoroaniline With Bromotrichloromethane; sodium nitrite In dichloromethane; water at 23℃; for 0.0833333h; Stage #2: With acetic acid In dichloromethane; water at 23℃; for 1h; | 51% |
Conditions | Yield |
---|---|
Stage #1: 1.4-dibromobenzene With n-butyllithium In tetrahydrofuran; hexane at 0℃; Flow reactor; Stage #2: With N-fluorobis(benzenesulfon)imide In tetrahydrofuran; hexane at 0℃; Flow reactor; | 78% |
Conditions | Yield |
---|---|
Stage #1: 1.4-dibromobenzene With n-butyllithium In tetrahydrofuran; hexane at 0℃; Flow reactor; Stage #2: With 2-fluoro-3,3-dimethyl-2,3-dihydro-1,2-benzisothiazole-1,1-dioxide In tetrahydrofuran; hexane at 0℃; Flow reactor; | A 13% B 76% |
Conditions | Yield |
---|---|
Stage #1: 4-Bromophenylboronic acid With sodium hydroxide In methanol at 23℃; for 0.25h; Inert atmosphere; Stage #2: With silver trifluoromethanesulfonate In methanol at 0℃; for 0.5h; Inert atmosphere; Stage #3: With Selectfluor In acetone at 23℃; for 1h; Inert atmosphere; Molecular sieve; regiospecific reaction; | 73% |
With cesium fluoroxysulphate In methanol at 0℃; for 24h; | 20 % Spectr. |
Multi-step reaction with 2 steps 1: diethyl ether / 20 °C / Inert atmosphere; Molecular sieve 2: silver fluoride; (tBuCN)2Cu*OTf; 1-fluoro-2,4,6-trimethylpyridinium hexafluorophosphate / tetrahydrofuran / 18 h / 50 °C / Inert atmosphere View Scheme | |
Multi-step reaction with 2 steps 1: methanol; water / 14 h / 23 °C 2: 2,2':6,2''-terpyridine; [(terpy)Pd(MeCN)][BF4]2; sodium fluoride; 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octanebis(tetrafluoroborate) / acetonitrile / 15 h / 40 °C View Scheme | |
Stage #1: 4-Bromophenylboronic acid With C27H23N4O6PdS; potassium carbonate In methanol; benzene at 23℃; for 3.5h; Stage #2: With Selectfluor In acetonitrile at 50℃; for 0.5h; | 12.8 mg |
Pd(C5H5N)(C13H8N2SO2C6H4NO2)(C6H4Br)
1-Bromo-4-fluorobenzene
Conditions | Yield |
---|---|
Stage #1: Pd(C5H5N)(C13H8N2SO2C6H4NO2)(C6H4Br) With Selectfluor In acetonitrile at 50℃; for 0.5h; Stage #2: With pyridine In acetonitrile at 23℃; Product distribution / selectivity; | 73% |
Conditions | Yield |
---|---|
With tert.-butylnitrite; boron trifluoride diethyl etherate In various solvent(s) at 100 - 110℃; for 2h; Balz-Schiemann reaction; | 54% |
With tert.-butylnitrite; boron trifluoride diethyl etherate In 1,2-dichloro-benzene at 100 - 115℃; for 1.08333h; Balz-Schiemann Reaction; | 54% |
Stage #1: 4-bromo-aniline With tetrafluoroboric acid; 1-ethyl-3-methylimidazolium tetrafluoroborate; sodium nitrite at 0 - 20℃; for 12.5h; Stage #2: at 90℃; Balz-Schiemann reaction; | 100 % Spectr. |
Stage #1: 4-bromo-aniline With lithium tetrafluoroborate; tert.-butylnitrite; boron trifluoride diethyl etherate In acetonitrile at 0℃; for 0.0833333h; Balz-Schiemann Reaction; Flow reactor; Stage #2: In toluene; acetonitrile at 120℃; for 1h; Solvent; Reagent/catalyst; Balz-Schiemann Reaction; Flow reactor; |
(N,N′-di-tert-butyl-2,11-diaza[3.3](2,6)pyridinophane)Ni(PhF)Br
1-Bromo-4-fluorobenzene
Conditions | Yield |
---|---|
With ferrocenium hexafluorophosphate In [D3]acetonitrile at -50 - 20℃; for 0.0833333h; Glovebox; Schlenk technique; Inert atmosphere; | 36% |
Conditions | Yield |
---|---|
With lead(IV) acetate; trifluoroacetic acid; potassium bromide at 25℃; for 0.5h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; | |
With manganese triacetate; trifluoroacetic acid; potassium bromide for 72h; Product distribution; Ambient temperature; Co(CH3COO)3, 67percent aq. CF3COOH, 15 - 10 h; | |
With potassium nitrate; potassium bromide In water; trifluoroacetic acid at 20℃; for 10h; Product distribution; under argon; |
fluorobenzene
A
o-fluorobromobenzene
B
2,4-dibromo-1-fluorobenzene
C
2,4,6-Tribromofluorobenzene
D
1-Fluoro-1,2,3,4,5,6-hexabromocyclohexane
E
1-Bromo-4-fluorobenzene
Conditions | Yield |
---|---|
With bromine In trichlorofluoromethane for 42h; Irradiation; other compounds: o-, m-, p-difluorobenzene; |
fluorobenzene
A
o-fluorobromobenzene
B
2,4-dibromo-1-fluorobenzene
C
1-Fluoro-1,2,3,4,5,6-hexabromocyclohexane
D
1-Bromo-4-fluorobenzene
Conditions | Yield |
---|---|
With bromine In trichlorofluoromethane for 42h; Irradiation; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts; |
bromobenzene
A
o-fluorobromobenzene
B
3-fluorobromobenzene
C
1-Bromo-4-fluorobenzene
Conditions | Yield |
---|---|
With fluorine In trichlorofluoromethane at -78℃; for 1h; | A 23 % Chromat. B 17 % Chromat. C 60 % Chromat. |
With fluorine In trichlorofluoromethane at -78℃; for 1h; Rate constant; Product distribution; competitive reaction with benzene; | A 23 % Chromat. B 17 % Chromat. C 60 % Chromat. |
With xenon difluoride; boron trifluoride diethyl etherate In acetonitrile at -35 - 20℃; for 2.5h; Inert atmosphere; Overall yield = 56 %; |
4-bromobenzenediazonium tetrafluoroborate
A
bromochlorobenzene
B
bromobenzene
C
1-Bromo-4-fluorobenzene
Conditions | Yield |
---|---|
With 18-crown-6 ether; 1,2-dichloro-ethane at 50℃; Rate constant; | A 11.1 % Chromat. B 82.3 % Chromat. C 6.6 % Chromat. |
1-Bromo-4-fluorobenzene
Conditions | Yield |
---|---|
With meta-dinitrobenzene; cesium fluoroxysulphate In acetonitrile Ambient temperature; | 15 % Spectr. |
Conditions | Yield |
---|---|
With bromobenzene; Cu-HZSM-5 zeolite at 399.9℃; Mechanism; | 9.7 % Chromat. |
4-bromobenzenediazonium tetrafluoroborate
A
bromochlorobenzene
B
1-Bromo-4-fluorobenzene
Conditions | Yield |
---|---|
In dichloromethane for 336h; Schiemann reaction; Heating; | A 5 % Chromat. B 30 % Chromat. |
1-Bromo-4-fluorobenzene
fluorobenzene
bromine
A
o-fluorobromobenzene
B
1-Bromo-4-fluorobenzene
Conditions | Yield |
---|---|
at 100℃; |
carbon disulfide
fluorobenzene
bromine
A
o-fluorobromobenzene
B
3-fluorobromobenzene
C
1-Bromo-4-fluorobenzene
Conditions | Yield |
---|---|
at 55℃; Product distribution; |
tetrachloromethane
fluorobenzene
A
o-fluorobromobenzene
B
3-fluorobromobenzene
C
4-fluoro-1-iodobenzene
D
1-Bromo-4-fluorobenzene
Conditions | Yield |
---|---|
Product distribution; |
fluorobenzene
A
1,2,-dibromo-4-fluorobenzene
B
2,4-dibromo-1-fluorobenzene
C
1-Bromo-4-fluorobenzene
fluorobenzene
A
o-fluorobromobenzene
B
3-fluorobromobenzene
C
1-Bromo-4-fluorobenzene
Conditions | Yield |
---|---|
With bromine at 25℃; for 16h; Irradiation; Yield given; |
Conditions | Yield |
---|---|
With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; sodium methylate In methanol; acetonitrile at 40℃; for 4h; | 99 % Chromat. |
Conditions | Yield |
---|---|
With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; sodium methylate In methanol; acetonitrile at 40℃; | 97 % Chromat. |
bromobenzene
A
o-fluorobromobenzene
B
2-bromo-1-oxypentafluorosulfanylbenzene
C
4-bromo-1-oxypentafluorosulfanylbenzene
R
3-fluorobromobenzene
S
1,3-dibromobenzene
T
1.4-dibromobenzene
U
1-Bromo-4-fluorobenzene
V
1,2-dibromobenzene
Conditions | Yield |
---|---|
With bis(pentafluorosulfur) peroxide at 100℃; for 17h; |
2,4-dimethylbenzaldehyde
1-Bromo-4-fluorobenzene
Conditions | Yield |
---|---|
With iodine; magnesium In tetrahydrofuran | 100% |
With iodine; magnesium In tetrahydrofuran | 100% |
With iodine; magnesium In tetrahydrofuran | 100% |
1-Bromo-4-fluorobenzene
cyclohexylmagnesium bromide
1-cyclohexyl-4-fluorobenzene
Conditions | Yield |
---|---|
Stage #1: 1-Bromo-4-fluorobenzene With dichloro [1,1'-bis(diphenylphosphino)propane]palladium(II) In tetrahydrofuran for 0.0833333h; Suzuki-Miyaura Coupling; Inert atmosphere; Schlenk technique; Stage #2: cyclohexylmagnesium bromide With lithium bromide In tetrahydrofuran at 20℃; for 24h; Reagent/catalyst; Inert atmosphere; Schlenk technique; | 100% |
1-Bromo-4-fluorobenzene
Conditions | Yield |
---|---|
With potassium phosphate; tris-(dibenzylideneacetone)dipalladium(0) In toluene at 120℃; Inert atmosphere; | 100% |
1-Bromo-4-fluorobenzene
Conditions | Yield |
---|---|
With bis-triphenylphosphine-palladium(II) chloride; N-ethyl-N,N-diisopropylamine; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In 1,4-dioxane at 110℃; for 12h; Schlenk technique; Inert atmosphere; | 100% |
Norbornan-2-on
1-Bromo-4-fluorobenzene
2-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-ol
Conditions | Yield |
---|---|
Stage #1: 1-Bromo-4-fluorobenzene With iodine; magnesium In tetrahydrofuran at 0℃; for 4h; Stage #2: Norbornan-2-on In tetrahydrofuran at 0 - 20℃; Stage #3: With water In tetrahydrofuran | 99% |
With magnesium | |
Stage #1: 1-Bromo-4-fluorobenzene With iodine; magnesium In tetrahydrofuran Cooling with ice; Inert atmosphere; Stage #2: Norbornan-2-on In tetrahydrofuran at 20℃; Inert atmosphere; Stage #3: With hydrogenchloride In tetrahydrofuran; water pH=7; |
Conditions | Yield |
---|---|
With (1E,2E)-N1,N2-bis(2,6-dimethylphenyl)ethane-1,2-diimine; nickel dibromide; zinc In tetrahydrofuran at 70℃; for 10h; Inert atmosphere; | 99% |
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; cesium fluoride In dimethyl sulfoxide at 120℃; for 10h; | 98% |
With potassium phosphate In ethanol; water at 80℃; for 20h; | 97% |
Conditions | Yield |
---|---|
With Br(1-)*C28H29BrN5O2Pd(1+); potassium carbonate In methanol; water at 100℃; for 3h; Suzuki-Miyaura coupling; | 99% |
With potassium phosphate In methanol at 60℃; for 1.5h; Suzuki coupling; | 99% |
With 0.42C23H20N4O4*2Cl(1-)*Zn(2+)*10.16H2O*0.58Pd(2+)*0.58C23H20N4O4(1-); potassium carbonate In toluene at 70℃; for 5h; Suzuki-Miyaura Coupling; | 99% |
4-methylphenylboronic acid
1-Bromo-4-fluorobenzene
4-methyl-4'-fluorobiphenyl
Conditions | Yield |
---|---|
Stage #1: 1-Bromo-4-fluorobenzene With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In ethanol; water; toluene for 0.25h; Suzuki Coupling; Inert atmosphere; Stage #2: 4-methylphenylboronic acid In ethanol; water; toluene at 80℃; for 48h; Suzuki Coupling; Inert atmosphere; | 99% |
With 3,5-di-tert-butyl-2-hydroxybenzaldehyde; potassium carbonate; palladium dichloride In ethanol; water at 20℃; for 2h; Suzuki-Miyaura Coupling; | 99% |
With tetrabutylammonium acetate; polyurea-encapsulated Pd(OAc)2 In various solvent(s) at 100℃; Suzuki reaction; | 98% |
4-methoxyphenylboronic acid
1-Bromo-4-fluorobenzene
4-(4-fluorophenyl)anisole
Conditions | Yield |
---|---|
With barium hydroxide octahydrate; palladium diacetate; triphenylphosphine In tetrahydrofuran; water at 80℃; for 18h; Inert atmosphere; | 99% |
With caesium carbonate In propan-1-ol; water at 20℃; for 1h; Suzuki-Miyaura Coupling; Inert atmosphere; | 98% |
With palladium diacetate In water; N,N-dimethyl-formamide at 25℃; | 96% |
Conditions | Yield |
---|---|
With potassium phosphate; [Pd(Ph2PCH2CH(CH3)O)2] In tetrahydrofuran; water at 20℃; for 9h; Suzuki cross-coupling reaction; | 99% |
With potassium fluoride; [Ph2P(CH2)2NH2]2PdCl2 In tetrahydrofuran; water at 25 - 27℃; for 7h; Suzuki cross-coupling reaction; | 99% |
3,4-(methylenedioxy)-benzeneboronic acid
1-Bromo-4-fluorobenzene
Conditions | Yield |
---|---|
With barium hydroxide octahydrate; palladium diacetate; triphenylphosphine In tetrahydrofuran; water at 60℃; for 16h; Inert atmosphere; | 99% |
With tetra-butylammonium acetate; Pd EnCat-30TM In acetonitrile at 140℃; for 0.25h; Suzuki cross-coupling; microwave irradiation; |
3-chloro-4-fluorophenylboronic acid
1-Bromo-4-fluorobenzene
Conditions | Yield |
---|---|
With tetra-butylammonium acetate; Pd EnCat-30TM In ethanol at 120℃; for 0.166667h; Suzuki cross-coupling; microwave irradiation; | 99% |
2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1-Bromo-4-fluorobenzene
2-(4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Conditions | Yield |
---|---|
With n-butyllithium In tetrahydrofuran; hexane at -50 - 23℃; for 4h; Inert atmosphere; Flow reactor; | 99% |
Stage #1: 1-Bromo-4-fluorobenzene With n-butyllithium In tetrahydrofuran; toluene at -20℃; for 0.5h; Stage #2: 2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane In tetrahydrofuran; toluene at -20 - 20℃; Further stages.; | 95% |
Stage #1: 1-Bromo-4-fluorobenzene With n-butyllithium In tetrahydrofuran; hexane at -78℃; Inert atmosphere; Stage #2: 2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane In tetrahydrofuran; hexane at -78℃; Inert atmosphere; | 84% |
With n-butyllithium; Triisopropyl borate In tetrahydrofuran; hexane at -60℃; | 77% |
With n-butyllithium In tetrahydrofuran at -80 - 20℃; for 5h; | 56% |
Trimethyl borate
1-Bromo-4-fluorobenzene
dihydroxy-(5-bromo-2-fluorophenyl)-borane
Conditions | Yield |
---|---|
With acetic acid; lithium diisopropyl amide In tetrahydrofuran; diethyl ether; water | 99% |
1-(2,3-dihydro-1H-naphtho[1,8-de]-1,3,2-diazaborinyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene
1-Bromo-4-fluorobenzene
4-(2,3-dihydro-1H-naphtho[1,8-de]-1,3,2-diazaborinyl)-4'-fluoro-1,1'-biphenyl
Conditions | Yield |
---|---|
With sodium hydroxide; bis(tri-tert-butylphosphine)palladium In 1,4-dioxane; water at 60℃; for 4h; Suzuki-Miyaura coupling; | 99% |
4-fluorobenzaldehyde
1-Bromo-4-fluorobenzene
4,4'-difluorobenzhydryl alcohol
Conditions | Yield |
---|---|
Stage #1: 1-Bromo-4-fluorobenzene With magnesium In diethyl ether Stage #2: 4-fluorobenzaldehyde In diethyl ether at -18℃; | 99% |
Stage #1: 1-Bromo-4-fluorobenzene With n-butyllithium In tetrahydrofuran; hexanes at -78℃; for 0.35h; Stage #2: 4-fluorobenzaldehyde In tetrahydrofuran; hexanes at -78℃; for 1.25h; Stage #3: With acetic acid In tetrahydrofuran; hexanes | 94% |
Stage #1: 1-Bromo-4-fluorobenzene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.333333h; Inert atmosphere; Stage #2: 4-fluorobenzaldehyde In tetrahydrofuran; hexane for 0.333333h; Inert atmosphere; Stage #3: With water In tetrahydrofuran; hexane Inert atmosphere; | 92% |
Stage #1: 4-fluorobenzaldehyde; 1-Bromo-4-fluorobenzene With magnesium In tetrahydrofuran at 20 - 85℃; for 2h; Stage #2: In tetrahydrofuran at 0 - 20℃; Inert atmosphere; | |
Stage #1: 1-Bromo-4-fluorobenzene With magnesium In diethyl ether at 20℃; for 2h; Inert atmosphere; Stage #2: 4-fluorobenzaldehyde In diethyl ether at 20℃; for 2h; Inert atmosphere; |
(2,6-dimethoxyphenyl)boronic acid
1-Bromo-4-fluorobenzene
2,6-dimethoxy-4'-fluorobiphenyl
Conditions | Yield |
---|---|
With dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II); triethylamine In water at 20℃; for 24h; Suzuki-Miyaura reaction; Inert atmosphere; Micellar solution; | 99% |
Conditions | Yield |
---|---|
With tris-(dibenzylideneacetone)dipalladium(0); 2,5-di(2,4,6-trimethylphenyl)-1,2,5-thiadiazolidine-1-oxide; tetrabutylammomium bromide; sodium acetate In 1-methyl-pyrrolidin-2-one at 200℃; for 0.5h; Heck reaction; Microwave irradiation; | 99% |
With 2,5-di(2,4,6-trimethylphenyl)-1,2,5-thiadiazolidine-1-oxide; tetrabutylammomium bromide; sodium acetate; bis(dibenzylideneacetone)-palladium(0) In 1-methyl-pyrrolidin-2-one at 200℃; for 0.5h; Mizoroki-Heck reaction; Microwave irradiation; | 99% |
With potassium phosphate; C34H46Br4N8Pd2 In N,N-dimethyl-formamide at 110℃; for 4h; Heck Reaction; | 80% |
With tetrabutylammomium bromide; palladium diacetate; potassium carbonate; 1-[phenyl(piperidin-1-yl)methyl]naphthalen-2-ol In N,N-dimethyl acetamide at 140℃; for 40h; Heck Reaction; Inert atmosphere; |
4-Methoxystyrene
1-Bromo-4-fluorobenzene
1-(4-methoxystyryl)-4-fluorobenzene
Conditions | Yield |
---|---|
With tris-(dibenzylideneacetone)dipalladium(0); 2,5-di(2,4,6-trimethylphenyl)-1,2,5-thiadiazolidine-1-oxide; tetrabutylammomium bromide; sodium acetate In 1-methyl-pyrrolidin-2-one at 200℃; for 0.5h; Heck reaction; Microwave irradiation; | 99% |
With 2,5-di(2,4,6-trimethylphenyl)-1,2,5-thiadiazolidine-1-oxide; tetrabutylammomium bromide; sodium acetate; bis(dibenzylideneacetone)-palladium(0) In 1-methyl-pyrrolidin-2-one at 200℃; for 0.5h; Mizoroki-Heck reaction; Microwave irradiation; | 99% |
With dichloro bis(acetonitrile) palladium(II); 10F6P(1-)*C235H200N20O10(10+); potassium hydroxide In 1-methyl-pyrrolidin-2-one at 160℃; for 5h; Heck Reaction; Inert atmosphere; | 95% |
With potassium phosphate; C34H46Br4N8Pd2 In N,N-dimethyl-formamide at 110℃; for 4h; Heck Reaction; | 73% |
7,8-benzoquinoline
1-Bromo-4-fluorobenzene
10-(4-fluorophenyl)benzo[h]quinoline
Conditions | Yield |
---|---|
With rhodium(II) acetate dimer; 1,3-bis(mesityl)imidazolium chloride; sodium t-butanolate; tricyclohexylphosphine In toluene at 80℃; | 99% |
With iron(III)-acetylacetonate; 1,2-dichloro-2-methylpropane; magnesium; 4,4'-di-tert-butyl-2,2'-bipyridine In tetrahydrofuran; 1,4-dioxane; 1,2-dichloro-ethane at 0℃; for 24h; Inert atmosphere; | 99% |
Conditions | Yield |
---|---|
With 1,1'-bis-(diphenylphosphino)ferrocene; tris-(dibenzylideneacetone)dipalladium(0); N-ethyl-N,N-diisopropylamine In toluene for 3h; Inert atmosphere; Reflux; | 99% |
(5,10,15,20-tetrakis(p-tolyl)porphyrinato)carbonyliridium(III) chloride
1-Bromo-4-fluorobenzene
(p-fluorophenyl)(5,10,15,20-tetrakis(p-tolyl)porphyrinato)iridium(III)
Conditions | Yield |
---|---|
With K2CO3 In benzene mixing Ir complex, Br compd., K2CO3 (20 equiv.), C6H6, 200°C, 20 h; | 99% |
With potassium carbonate In benzene at 200℃; for 20h; Inert atmosphere; Darkness; | 99% |
(5,10,15,20-tetrakis(p-tolyl)porphyrinato)carbonyliridium(III) chloride
1-Bromo-4-fluorobenzene
Conditions | Yield |
---|---|
With potassium carbonate In benzene at 200℃; for 20h; Inert atmosphere; | 99% |
Conditions | Yield |
---|---|
With [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(ll) dichloride; tetrabutylammomium bromide; triethylamine In N,N-dimethyl-formamide at 140℃; for 20h; Reagent/catalyst; Heck Reaction; Sealed tube; Inert atmosphere; Schlenk technique; | 99% |
With bis(η3-allyl-μ-chloropalladium(II)); 6H-dibenzo[d,f-1,3]diazepin-6-ylidene-5,7-dihydro-5,7-diphenylphosphanyl; sodium carbonate In N,N-dimethyl acetamide at 130℃; for 24h; Heck Reaction; Schlenk technique; Inert atmosphere; | 96% |
With bis(η3-allyl-μ-chloropalladium(II)); 6H-dibenzo[d,f-1,3]diazepin-6-ylidene-5,7-dihydro-5,7-diphenylphosphanyl; sodium carbonate In N,N-dimethyl acetamide at 130℃; for 24h; Concentration; Time; Heck Reaction; Inert atmosphere; Schlenk technique; | 96% |
Conditions | Yield |
---|---|
With Potassium phosphate In N,N-dimethyl-formamide at 150℃; for 27h; | 99% |
With potassium phosphate In N,N-dimethyl-formamide at 190℃; for 1h; Microwave irradiation; | 71% |
With sodium hydride In N,N-dimethyl-formamide; mineral oil at 20 - 130℃; for 5.5h; Cooling with ice; | 13 g |
With potassium phosphate In 1-methyl-pyrrolidin-2-one at 200℃; for 2h; Sealed tube; | |
With potassium phosphate In 1-methyl-pyrrolidin-2-one at 200℃; for 2h; Sealed tube; |
2-Benzylpyridine
1-Bromo-4-fluorobenzene
2-((4-fluorophenyl)(phenyl)methyl)pyridine
Conditions | Yield |
---|---|
With 15-crown-5; NiXantphos; palladium diacetate; sodium hexamethyldisilazane at 23℃; for 12h; Catalytic behavior; Reagent/catalyst; Glovebox; Inert atmosphere; Sealed tube; | 99% |
With bis(1,5-cyclooctadiene)nickel (0); sodium hexamethyldisilazane; nixantphos at 50℃; for 16h; | 83% |
With tris(triphenylphosphine)rhodium(l) chloride; C18H27N2(1+)*Cl(1-); sodium t-butanolate In toluene at 120℃; for 12h; Inert atmosphere; | 63% |
1-Bromo-4-fluorobenzene
1-cyclopentyl-4-fluorobenzene
Conditions | Yield |
---|---|
With Pd-PEPPSI-IPrAn In tetrahydrofuran; 1,4-dioxane at 0 - 20℃; for 0.5h; Negishi Coupling; Schlenk technique; Inert atmosphere; | 99% |
4-Methylthiazole
1-Bromo-4-fluorobenzene
5-(4-fluorophenyl)-4-methylthiazole
Conditions | Yield |
---|---|
With C82H77Cl2N3O2Pd; potassium carbonate; Trimethylacetic acid In N,N-dimethyl acetamide at 130℃; for 4h; | 99% |
With C23H20ClFeN3Pd; potassium carbonate; Trimethylacetic acid In N,N-dimethyl acetamide at 140℃; for 10h; Reagent/catalyst; regioselective reaction; | 94% |
With C34H48Cl2N2Pd; potassium carbonate; Trimethylacetic acid In N,N-dimethyl acetamide at 100℃; for 8h; | 83% |
Conditions | Yield |
---|---|
With palladium diacetate; sodium carbonate; 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate In water at 80℃; for 4h; Time; Suzuki-Miyaura Coupling; | 99% |
With water; palladium diacetate; sodium carbonate at 80℃; for 2h; Time; Suzuki Coupling; Green chemistry; | 98% |
With [Pd(N-(3-chloro-2-quinoxalinyl)-N'-(2,6-diisopropylphenyl)imidazolium)(PPh3)Cl2]; potassium carbonate In water at 70℃; for 3h; Catalytic behavior; Suzuki-Miyaura Coupling; | 96% |
4-Bromofluorobenzene, its cas register number is 460-00-4. It also can be called 1-bromo-4-fluoro-benzen; 1-Fluoro-4-bromobenzene; 4-Bromfluorbenzol; 4-Fluorbrombenzol; 4-Fluoro-1-bromobenzene; 4-Fluorophenyl bromide; 4-fluorophenylbromide; Benzene, 1-bromo-4-fluoro. 4-Bromofluorobenzene(CAS NO.460-00-4) is a clear colorless liquid and belongs to the Organic chemicals and Derivatives. 4-Bromofluorobenzene is used in pharmaceutical, pesticide synthesis.
Physical properties about 4-Bromofluorobenzene are: (1)ACD/LogP: 2.976; (2)ACD/LogD (pH 5.5): 2.98; (3)ACD/LogD (pH 7.4): 2.98; (4)ACD/BCF (pH 5.5): 107.65; (5)ACD/BCF (pH 7.4): 107.65; (6)ACD/KOC (pH 5.5): 991.10; (7)ACD/KOC (pH 7.4): 991.10; (8)Index of Refraction: 1.53; (9)Molar Refractivity: 33.937 cm3; (10)Molar Volume: 109.828 cm3; (11)Polarizability: 13.454 10-24cm3; (12)Surface Tension: 33.8409996032715 dyne/cm; (13)Density: 1.593 g/cm3; (14)Flash Point: 49.29 °C; (15)Enthalpy of Vaporization: 37.515 kJ/mol; (16)Boiling Point: 154.505 °C at 760 mmHg; (17)Vapour Pressure: 4.07100009918213 mmHg at 25°C
When you are using this chemical, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Wear suitable protective clothing, gloves and eye/face protection;
3. Keep away from sources of ignition - No smoking;
4. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);
5. Wear suitable protective clothing and gloves;
6. Keep container tightly closed;
You can still convert the following datas into molecular structure:
(1)InChI=1S/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4H;
(2)InChIKey=AITNMTXHTIIIBB-UHFFFAOYSA-N; (
3)Smilesc1(ccc(Br)cc1)F;
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LC50 | inhalation | 18gm/m3/4H (18000mg/m3) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: DYSPNEA | National Technical Information Service. Vol. OTS0540496, |
rat | LD50 | oral | 2700mg/kg (2700mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: TREMOR BEHAVIORAL: ATAXIA | National Technical Information Service. Vol. OTS0540497, |
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