Conditions | Yield |
---|---|
With polymer-supported phenyliodine(III) diacetate; JandaJel-CH2O-TEMPO In 1,2-dichloro-ethane at 70℃; for 12h; | 100% |
With 2.9-dimethyl-1,10-phenanthroline; oxygen; sodium hydrogencarbonate; gold(I) chloride In water at 100℃; under 38002.6 Torr; for 24h; | 100% |
With 1,1,1,3',3',3'-hexafluoro-propanol; 5-trimethylammonio-1,3-dioxo-1,3-dihydro-1λ5-benzo[d][1,2]-iodoxol-1-ol anion; trifluoroacetic acid at 20℃; for 0.25h; | 100% |
Conditions | Yield |
---|---|
With 1,3-dimethyl-2-phenyl-2,3-dihydro-1H-benzo[d]imidazole; azobisisobutyronitrile In acetonitrile at 61℃; for 48h; Rate constant; other temp., other reagents; | 100% |
With 4-methyl-morpholine; 1.3-propanedithiol; tetrabutyl ammonium fluoride In tetrahydrofuran for 0.0833333h; Ambient temperature; | 74% |
Conditions | Yield |
---|---|
With diiodosilane In chloroform at -42℃; for 0.0166667h; other reagent: iodotrimethylsilane (TMSI); other temp. and mol percent; other ketals and acetals; | 99% |
With diiodosilane In chloroform at -42℃; for 0.0166667h; other reagent: iodotrimethylsilane (TMSI); | 99% |
With caro's acid; silica gel In acetonitrile at 20℃; for 0.666667h; | 95% |
4-bromoacetophenone phenylhydrazone
para-bromoacetophenone
Conditions | Yield |
---|---|
With quinolinium dichromate(VI) In acetonitrile for 1h; Heating; | 99% |
With polumer-supported phenyliodine bis(trifluoroacetate); water In tetrahydrofuran for 0.75h; | 85% |
With manganese(IV) oxide; potassium permanganate In dichloromethane at 20℃; for 10h; | 68% |
Conditions | Yield |
---|---|
With trifluorormethanesulfonic acid; silver trifluoromethanesulfonate; C75H52AuClN2O2 In methanol; dichloromethane; water at 20℃; for 20h; | 99% |
With water at 60℃; for 20h; Sealed tube; | 99% |
With 5,10,15-tris(pentafluorophenyl)corrole cobalt(III) triphenyl phosphine; sulfuric acid; water In methanol at 80℃; for 72h; | 99% |
1-bromo-4-(1,1-diethoxyethyl)benzene
para-bromoacetophenone
Conditions | Yield |
---|---|
bismuth(III) iodide In water at 100℃; for 2h; | 99% |
With copper(II) sulfate; sodium iodide In acetone at 56℃; for 2.5h; | 81% |
Conditions | Yield |
---|---|
With dibenzo-18-crown-6; potassium bromide; copper(ll) bromide; 1,10-Phenanthroline; copper(I) bromide In acetonitrile at 20℃; for 0.333333h; Sandmeyer bromination; | 99% |
With (triphenylphosphine)gold(I) chloride; sodium bromide In acetonitrile at 50℃; for 5h; Sandmeyer Reaction; | 81% |
Conditions | Yield |
---|---|
With oxygen at 190℃; under 760.051 Torr; for 24h; Autoclave; | 99% |
With hydrogenchloride; sodium nitrite In water at 23℃; for 3h; Sealed tube; | 50% |
Conditions | Yield |
---|---|
With sodium dithionite; potassium carbonate; 1,1′-dioctyl-4,4′-bipyridinium In water; toluene at 35℃; for 3h; | 98% |
With sodium tetrahydroborate; nickel dichloride In N,N-dimethyl-formamide for 0.25h; | 98% |
With Methyltrichlorosilane; sodium iodide In acetonitrile for 2h; Ambient temperature; | 98% |
piperidine
bis(1-naphthoyl) telluride
A
(naphthalen-1-yl)(piperidin-1-yl)methanone
B
para-bromoacetophenone
Conditions | Yield |
---|---|
With para-bromophenacyl bromide In toluene at 25℃; for 2h; | A 98% B 50% |
p-bromoacetophenone oxime
para-bromoacetophenone
Conditions | Yield |
---|---|
With quinolinium dichromate(VI) In acetonitrile for 0.8h; Heating; | 98% |
With bismuth(III) chloride; benzyltriphenylphosphonium peroxymonosulfate In acetonitrile for 1h; Heating; | 98% |
With bismuth(III) chloride; benzyltriphenylphosphonium peroxymonosulfate In dichloromethane for 0.05h; microwave irradiation; | 98% |
1,2-bis-[1-(4-bromophenyl)ethylidene]hydrazine
para-bromoacetophenone
Conditions | Yield |
---|---|
With ammonium cerium(IV) nitrate In water; acetonitrile at 20℃; for 18h; Oxidation; | 98% |
With 2-phenyl-1,2-benzoisoselenazol-3(2H)-one; dihydrogen peroxide In methanol; water at 65℃; for 24h; | 96% |
Conditions | Yield |
---|---|
With bismuth(III) chloride; sodium tetrahydroborate; sodium iodide In acetone Ambient temperature; | 98% |
With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; acetic acid for 3h; Irradiation; Inert atmosphere; | 92% |
para-bromoacetophenone
Conditions | Yield |
---|---|
With water; oxalic acid In diethyl ether for 4h; Ambient temperature; | 98% |
A
para-bromoacetophenone
Conditions | Yield |
---|---|
With tetra-n-butylammonium cyanide In tetrahydrofuran for 0.333333h; Heating; | A 89% B 98% |
N'-[1-(4-Bromo-phenyl)-eth-(E)-ylidene]-N,N-dimethyl-hydrazine
para-bromoacetophenone
Conditions | Yield |
---|---|
With sodium perborate In acetic acid at 50 - 60℃; for 5h; | 97% |
With cerium(III) chloride; silica gel for 0.0833333h; Microwave irradiation; | 90% |
para-bromophenacyl bromide
4-Ethyltellanyl-butan-1-ol
A
para-bromoacetophenone
Conditions | Yield |
---|---|
In dichloromethane for 2h; Ambient temperature; | A 97% B 63% |
Conditions | Yield |
---|---|
With tert.-butylhydroperoxide In water at 20℃; for 18h; Sealed tube; | 97% |
With Iron(III) nitrate nonahydrate; 1-hydroxy-pyrrolidine-2,5-dione; oxygen In benzonitrile at 90℃; for 30h; | 97% |
With Oxone; potassium bromide In nitromethane at 50℃; for 24h; | 96% |
4-acetylphenylboronic acid
para-bromoacetophenone
Conditions | Yield |
---|---|
With N-Bromosuccinimide In acetonitrile at 80℃; for 12h; | 97% |
With tetrabutylammomium bromide; copper(ll) bromide In water at 100℃; Sealed tube; | 87% |
With sodium nitrite In acetonitrile at 80℃; for 10h; Sealed tube; | 85% |
With 1,10-Phenanthroline; oxygen; potassium bromide; copper(ll) bromide In N,N-dimethyl-formamide at 130℃; for 20h; | 78% |
With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; sodium methylate In methanol; water; acetonitrile at 40℃; for 4h; | 99 % Chromat. |
3,3-dimethyldioxirane
1-(4-bromophenyl)ethanol
A
4-bromo-2-hydroxyacetophenone
B
para-bromoacetophenone
Conditions | Yield |
---|---|
In acetone at 25℃; for 3h; | A 3% B 96% |
In acetone at 25℃; for 3h; Thermodynamic data; Rate constant; Ea, ΔH(excit.), ΔS(excit.), ΔG(excit.); | A 3% B 96% |
para-bromophenacyl bromide
3-(methyltellanyl)propan-1-ol
A
para-bromoacetophenone
Conditions | Yield |
---|---|
In dichloromethane for 2.5h; Ambient temperature; | A 96% B 72% |
1-(4-bromophenyl)-2-(phenylsulfonyl)ethanone
para-bromoacetophenone
Conditions | Yield |
---|---|
With formic acid; eosin Y bis(tetrabutyl ammonium salt) In acetonitrile at 20℃; Irradiation; Inert atmosphere; | 96% |
With samarium; acetic acid In ethanol at 20℃; for 3h; | 75% |
4-acetophenyl triflate
para-bromoacetophenone
Conditions | Yield |
---|---|
With [Cp*Ru(CH3CN)3]OTf; lithium bromide at 100℃; for 12h; Inert atmosphere; | 96% |
With potassium fluoride; tris-(dibenzylideneacetone)dipalladium(0); t-BuBrettPhos; potassium bromide In 1,4-dioxane at 130℃; for 16h; Inert atmosphere; | 79% |
4'-bromoacetophenone semicarbazone
para-bromoacetophenone
Conditions | Yield |
---|---|
With (H2DABCO)2(HDABCO)2(Br)2(Br3)4 In water at 80℃; for 0.333333h; | 95% |
With tribromo-isocyanuric acid In acetonitrile at 20℃; for 6h; | 94% |
With bismuth(III) chloride; benzyltriphenylphosphonium peroxymonosulfate In acetonitrile for 2h; Heating; | 93% |
para-bromoacetophenone
Conditions | Yield |
---|---|
With 2,6-dicarboxypyridinium chlorochromate In acetonitrile at 20℃; for 0.15h; | 95% |
With potassium dichromate; aluminium trichloride for 0.416667h; | 90% |
2-(4-bromophenyl)-2-methyl-1,3-dithiane
para-bromoacetophenone
Conditions | Yield |
---|---|
With quinolinium monofluorochromate(VI) In acetonitrile for 2.5h; Heating; | 95% |
With potassium permanganate; tungstate sulfuric acid In dichloromethane at 20℃; for 1.16667h; | 95% |
With silica gel; iodic acid at 20℃; for 0.0111111h; | 93% |
2-(p-bromo-α-methylbenzyloxy)tetrahydropyran
para-bromoacetophenone
Conditions | Yield |
---|---|
With β‐cyclodextrin; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In water; acetone at 20℃; for 0.666667h; | 95% |
With N-Bromosuccinimide; β‐cyclodextrin In acetone at 20℃; for 0.5h; | 90% |
1-bromo-4-ethenyl-benzene
A
para-bromoacetophenone
B
1-(4-bromophenyl)ethanol
Conditions | Yield |
---|---|
With triethylsilane; (1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-Hexadecafluorophthalocyaninato)iron(II); oxygen In ethanol at 20℃; under 760.051 Torr; for 8.5h; Wacker Oxidation; Sealed tube; Green chemistry; chemoselective reaction; | A 95% B 3% |
pyridine
para-bromoacetophenone
1-(2-(4-bromophenyl)-2-oxoethyl)pyridin-1-ium iodide
Conditions | Yield |
---|---|
With iodine for 16h; Reflux; Inert atmosphere; | 100% |
With iodine at 80℃; for 6h; | 78% |
With iodine at 100℃; for 3h; | 76% |
para-bromoacetophenone
ethylene glycol
2-(4-bromophenyl)-2-methyl-1,3-dioxolane
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In benzene for 39h; Heating; | 100% |
With p-toluenesulfonic acid monohydrate In benzene for 50h; Inert atmosphere; Reflux; Dean-Stark; | 100% |
With toluene-4-sulfonic acid In toluene at 160℃; for 16h; Dean-Stark; Inert atmosphere; | 99% |
Conditions | Yield |
---|---|
With selenium (IV) oxide In 1,4-dioxane; water Heating; | 100% |
With copper(II) choride dihydrate In dimethyl sulfoxide at 80℃; | 90% |
With selenium(IV) oxide; water In ethanol for 8h; Reflux; | 78% |
Conditions | Yield |
---|---|
With zirconium dioxide hydrate; isopropyl alcohol at 130℃; for 0.366667h; Meerwein-Ponndorf-Verley Reduction; | 100% |
Stage #1: para-bromoacetophenone With C24H20Cl2F5NRuS; isopropyl alcohol at 82℃; for 0.166667h; Stage #2: With potassium hydroxide at 82℃; for 0.5h; | 100% |
With methanol; sodium tetrahydroborate at 0℃; for 0.166667h; Reagent/catalyst; | 100% |
para-bromoacetophenone
p-bromoacetophenone oxime
Conditions | Yield |
---|---|
With hydroxylamine | 100% |
With hydroxylamine hydrochloride | 100% |
With hydroxylamine hydrochloride; sodium acetate In ethanol; water Reflux; | 100% |
Conditions | Yield |
---|---|
With cis-(N,N'-bis(2,2-diethoxyethyl)imidazolin-2-ylidene)dichlorotriphenylphosphinepalladium(II); tetrabutylammomium bromide; potassium carbonate In N,N-dimethyl-formamide at 140℃; for 2h; Heck reaction; | 100% |
With 6F6P(1-)*C50H64N12Pd(6+); sodium acetate In N,N-dimethyl-formamide at 140℃; for 3h; Reagent/catalyst; Heck Reaction; | 100% |
With C28H28N4O2(2+)*2Cl(1-); palladium diacetate; potassium carbonate In water; N,N-dimethyl-formamide at 145℃; for 0.0833333h; Heck reaction; Microwave irradiation; | 99% |
4-fluoroboronic acid
para-bromoacetophenone
4'-fluoro-4-acetyl-1,1'-biphenyl
Conditions | Yield |
---|---|
With 1,4-diaza-bicyclo[2.2.2]octane; potassium carbonate; palladium diacetate In acetone at 110℃; for 3.5h; Suzuki-Miyaura cross-coupling reaction; | 100% |
With potassium phosphate; [Pd(Ph2PCH2CH(CH3)O)2] In tetrahydrofuran; water at 20℃; for 8h; Suzuki cross-coupling reaction; | 99% |
With potassium phosphate; cis-bis((diphenylphosphino)acetate-κ2P,O)palladium(II) In tetrahydrofuran at 25 - 27℃; for 6h; Suzuki coupling; | 99% |
para-bromoacetophenone
trimethylsilylacetylene
4'-(2-trimethylsilylethynyl)acetophenone
Conditions | Yield |
---|---|
With copper diacetate; triethylamine; triphenylphosphine; palladium dichloride at 100℃; for 1.5h; | 100% |
With copper diacetate; triethylamine; triphenylphosphine; palladium dichloride at 100℃; for 1.5h; | 100% |
With copper(l) iodide; palladium diacetate; triethylamine; triphenylphosphine at 60℃; for 12h; | 98% |
tert-Butyl acrylate
para-bromoacetophenone
(E)-tert-butyl 3-(4-acetylphenyl)prop-2-enoate
Conditions | Yield |
---|---|
With 1,4-diaza-bicyclo[2.2.2]octane; potassium carbonate; palladium diacetate In N,N-dimethyl-formamide at 120℃; for 15h; Heck cross-coupling reaction; | 100% |
With 1,3-disubstituted imidazolium bromide; potassium carbonate; 4-methylmorpholine N-oxide; palladium diacetate In 1-methyl-pyrrolidin-2-one at 120℃; for 2h; Heck reaction; | 99% |
With potassium carbonate In N,N-dimethyl-formamide at 120℃; for 1h; Mizoroki-Heck reaction; | 99% |
Conditions | Yield |
---|---|
With copper(l) iodide; 1,2-bis(diphenylphosphino)-1'-(diisopropylphosphino)-3',4-di-tert-butyl ferrocene; potassium carbonate; bis(η3-allyl-μ-chloropalladium(II)) In N,N-dimethyl-formamide at 130℃; for 20h; Sonogashira cross-coupling; | 100% |
With copper(l) iodide; 1-isobutyl-2,2,6,6-tetramethyl-phosphorinane*HBF4; diisopropylamine; bis(benzonitrile)palladium(II) dichloride In 1,4-dioxane at 20℃; for 24h; Sonogashira reaction; | 100% |
With 1,4-diaza-bicyclo[2.2.2]octane; PdCl2[4,4'-bis(n-C10F21CH2OCH2)-2,2'-bipyridine] In N,N-dimethyl-formamide at 140℃; for 1h; Catalytic behavior; Sonogashira Cross-Coupling; Microwave irradiation; | 100% |
Conditions | Yield |
---|---|
With potassium carbonate; {1,3-di[(R)-1-PhEt]imidazolin-2-ylidene}(PPh3)PdI2 In xylene at 130℃; for 13h; Suzuki-Miyaura cross-coupling reaction; | 100% |
With tetrabutylammomium bromide; potassium carbonate; quasi polymeric 4-pyridine-aldoxime Pd(II)-catalyst at 120℃; for 0.333333h; Suzuki-Miyaura reaction; microwave irradiation; | 100% |
With 3-tert-butyl-5-methyl-1-(2-(diphenylphosphino)phenyl)-1H-pyrazole; tris(dibenzylideneacetone)dipalladium (0) In toluene at 65℃; for 2h; Suzuki coupling; | 100% |
acrylic acid n-butyl ester
para-bromoacetophenone
(E)-3-(4-acetylphenyl)acrylic acid butyl ester
Conditions | Yield |
---|---|
With palladium diacetate; caesium carbonate In N,N-dimethyl acetamide at 100℃; for 3h; Product distribution; Further Variations:; Reagents; Heck reaction; | 100% |
With tributyl-amine In N,N-dimethyl-formamide at 150℃; for 1h; Heck reaction; | 100% |
With C29H33Cl2N5Pd; tetrabutylammomium bromide; sodium carbonate In N,N-dimethyl acetamide at 140℃; for 4h; Heck reaction; Inert atmosphere; | 100% |
styrene
para-bromoacetophenone
4-acetyl-trans-stilbene
Conditions | Yield |
---|---|
With sodium acetate; {1,1'-dibenzyl-3,3'-CH2-diimidazolin-2,2'-diylidene}PdBr2 In N,N-dimethyl acetamide at 165 - 175℃; for 1h; Heck coupling reaction; | 100% |
With [Pd2(1,2-bis(diphenylphosphino)ethane)2(SC6H4S)]2(OTf)4; sodium acetate In N,N-dimethyl acetamide; water at 120℃; for 16h; Catalytic behavior; Reagent/catalyst; Temperature; Heck Reaction; Inert atmosphere; | 100% |
With C180H144O4P8Pd4S4(4+)*4CF3O3S(1-); sodium acetate In N,N-dimethyl acetamide; water at 120℃; for 16h; Heck Reaction; Inert atmosphere; | 100% |
4-methylphenylboronic acid
para-bromoacetophenone
4-acetyl-4'-methylbiphenyl
Conditions | Yield |
---|---|
With C23H35N4O4Pd(1+)*Br(1-); potassium carbonate In water at 100℃; for 1h; Suzuki-Miyaura Coupling; | 100% |
With potassium phosphate In N,N-dimethyl-formamide at 120℃; for 5h; Suzuki Coupling; | 100% |
With potassium carbonate In water at 80℃; for 10.5h; Suzuki-Miyaura Coupling; Green chemistry; | 100% |
Conditions | Yield |
---|---|
{1,3-di[(R)-1-PhEt]imidazolin-2-ylidene}(PCPh)PdI2 In toluene at 110℃; for 17h; Stille reaction; | 100% |
With 1,4-diaza-bicyclo[2.2.2]octane; potassium hydroxide; poly(ethylene glycol)-400; palladium diacetate In water at 80℃; for 10h; Stille coupling; | 100% |
With potassium carbonate; trans-(1,3-di(1'-(R)-phenylethyl)imidazolin-2-ylidene)(tricyclohexylphosphine)palladium(II) diiodide In toluene at 110℃; for 17h; Stille cross coupling; | 99% |
Conditions | Yield |
---|---|
With 2-(dicyclohexylphosphino)-4'-(N,N-dimethylamino)-1,1'-biphenyl at 100℃; | 100% |
With potassium 2-methylbutan-2-olate In 1,2-dimethoxyethane at 80℃; for 3h; Hartwig-Buchwald amination; Inert atmosphere; | 99% |
With C30H25BrN3PPdS; potassium carbonate In iso-butanol at 100℃; for 24h; Buchwald-Hartwig Coupling; Inert atmosphere; | 94.7% |
para-bromoacetophenone
(R)-1-(4-bromophenyl)ethanol
Conditions | Yield |
---|---|
With bis(1,5-cyclooctadiene)diiridium(I) dichloride; C45H58NP; potassium tert-butylate; hydrogen In propan-1-ol at 25 - 30℃; under 4560.31 Torr; for 0.166667h; Autoclave; optical yield given as %ee; enantioselective reaction; | 100% |
With (S,S)-RuCl2(2,2'-bis(di-3,5-xylylphosphino)-1,1'-binaphthyl)(1,1-dianisyl-2-isopropyl-1,2-ethylenediamine); potassium tert-butylate; hydrogen In isopropyl alcohol at 26 - 30℃; under 6080 Torr; for 5h; | 99.9% |
With Geotrichum candidum IFO 5767 In water at 30℃; for 24h; aerobic conditions; | 99% |
Conditions | Yield |
---|---|
With diethylene glycol dibutyl ether; [PdBr2]([Ph2PCH2C(Ph)=N(2,6-iPr2C6H3)]) In N,N-dimethyl acetamide at 130℃; for 20h; Product distribution; Further Variations:; Catalysts; Heck coupling; | 100% |
With water; potassium carbonate In 1-methyl-pyrrolidin-2-one at 135℃; for 24h; Catalytic behavior; Heck Reaction; | 99% |
With tributyl-amine; Palladium bipyridyl complex anchored on nanosized MCM-41 In various solvent(s) at 170℃; for 16h; Heck reaction; | 98% |
2-Methylphenylboronic acid
para-bromoacetophenone
4-acetyl-2'-methylbiphenyl
Conditions | Yield |
---|---|
With potassium phosphate; water In toluene at 100℃; for 1h; Suzuki coupling reaction; | 100% |
With potassium carbonate; N,N-diethylaminopropyl-Al2O3-Pd(OAc)2 In ethanol; water at 80℃; for 2h; Suzuki-Miyaura reaction; microwave irradiation; | 100% |
With potassium carbonate In ethanol; water at 20℃; for 0.5h; Suzuki-Miyaura reaction; Inert atmosphere; | 100% |
4-methoxyphenylboronic acid
para-bromoacetophenone
1-(4'-methoxy-biphenyl-4-yl)-ethanone
Conditions | Yield |
---|---|
With sodium phosphate; palladium on activated charcoal In water; isopropyl alcohol at 20℃; for 2h; Suzuki-Miyaura reaction; | 100% |
With potassium carbonate In water at 80℃; for 5h; Suzuki Coupling; | 100% |
With potassium carbonate In methanol at 25℃; for 1h; Wavelength; Suzuki-Miyaura Coupling; Inert atmosphere; Irradiation; | 100% |
para-bromoacetophenone
(E)-1-(4-bromophenyl)ethan-1-one oxime
Conditions | Yield |
---|---|
With hydroxylamine hydrochloride; sodium acetate In methanol Heating; | 100% |
With hydroxylamine hydrochloride; sodium acetate In methanol; water Reflux; | 100% |
With 3 A molecular sieve; hydroxylamine hydrochloride at 20℃; for 0.25h; | 96% |
2-Methoxyphenylboronic acid
para-bromoacetophenone
4-acetyl-2'-methoxybiphenyl
Conditions | Yield |
---|---|
With sodium carbonate; palladium on activated charcoal In ethanol at 20℃; for 4h; Suzuki-Miyaura cross-coupling; | 100% |
With potassium carbonate In ethanol; water at 60℃; for 12h; Suzuki Coupling; Green chemistry; | 99% |
With potassium carbonate In ethanol; water at 20℃; for 1.5h; Suzuki-Miyaura reaction; Inert atmosphere; | 97% |
4-trifluoromethylphenylboronic acid
para-bromoacetophenone
4-acetyl-4'-trifluoromethylbiphenyl
Conditions | Yield |
---|---|
With tetrabutylammomium bromide; palladium diacetate; potassium carbonate In water at 60℃; for 2h; Inert atmosphere; | 100% |
With 1-dodecyl-2,3-dimethylimidazolium bis(2,4,4-trimethylpentyl)phosphinate; potassium carbonate; palladium dichloride In n-heptane; water at 80℃; for 1h; Catalytic behavior; Suzuki Coupling; | 100% |
With Br(1-)*C28H29BrN5O2Pd(1+); potassium carbonate In water at 100℃; for 3h; Suzuki-Miyaura coupling; | 99% |
para-bromoacetophenone
4-acetylphenylboronic acid
4,4'-diacetylbiphenyl
Conditions | Yield |
---|---|
With potassium carbonate; N,N-diethylaminopropyl-Al2O3-Pd(OAc)2 In ethanol; water for 0.0833333h; Suzuki-Miyaura reaction; | 100% |
With potassium carbonate; Pd(NH3)2Cl2 In water at 100℃; for 3h; Suzuki cross-coupling reaction; | 99% |
With iron(III) chloride; potassium fluoride In ethanol at 90℃; for 16h; Suzuki-Miyaura type coupling; sealed tube; air; | 99% |
para-bromoacetophenone
oxalic acid diethyl ester
ethyl 4-(4-bromophenyl)-2,4-dioxobutanoate
Conditions | Yield |
---|---|
Stage #1: para-bromoacetophenone With sodium In ethanol at 0 - 10℃; for 1h; Stage #2: oxalic acid diethyl ester In ethanol for 1.5h; | 100% |
With sodium ethanolate In ethanol at 20℃; for 12h; | 85% |
Stage #1: oxalic acid diethyl ester With sodium ethanolate In benzene at 0℃; Inert atmosphere; Stage #2: para-bromoacetophenone In benzene at 0 - 20℃; for 14.5h; Inert atmosphere; | 75% |
Conditions | Yield |
---|---|
With copper(I) oxide; 1,10-Phenanthroline; tetrabutyl ammonium fluoride at 140 - 145℃; for 24h; | 100% |
With copper(l) iodide; caesium carbonate In N,N-dimethyl-formamide at 20 - 100℃; for 24.5h; | 99% |
With potassium carbonate; copper(l) iodide In N,N-dimethyl-formamide at 110℃; for 24h; Ullmann coupling reaction; | 98% |
1,2-bis(tert-butyldimethylsilyl)hydrazine
para-bromoacetophenone
4'-bromoacetophenone N-tert-butyldimethylsilylhydrazone
Conditions | Yield |
---|---|
With scandium tris(trifluoromethanesulfonate) at 0 - 23℃; | 100% |
Conditions | Yield |
---|---|
(1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In 1,4-dioxane for 1h; Heating; | 100% |
The Molecular Structure of 4'-Bromoacetophenone (CAS NO.99-90-1):
Empirical Formula: C8H7BrO
Molecular Weight: 199.0446
IUPAC Name: 1-(4-bromophenyl)ethanone
Product Categories: Acetophenone Series;FINE Chemical & INTERMEDIATES;Aromatic Acetophenones & Derivatives (substituted);Adehydes, Acetals & Ketones;Bromine Compounds;Acetophenones (Building Blocks for Liquid Crystals);Bifunctional Compounds (Building Blocks for Liquid Crystals);Building Blocks for Liquid Crystals;Functional Materials
Appearance: white to light yellow crystals
Nominal Mass: 198 Da
Average Mass: 199.0446 Da
Monoisotopic Mass: 197.96802 Da
Index of Refraction: 1.554
Molar Refractivity: 43.97 cm3
Molar Volume: 137.1 cm3
Surface Tension: 39 dyne/cm
Density: 1.451 g/cm3
Flash Point: 94.3 °C
Enthalpy of Vaporization: 49.76 kJ/mol
Boiling Point: 259.9 °C at 760 mmHg
Vapour Pressure: 0.0126 mmHg at 25°C
log P (octanol-water): 2.43
Water Solubility: 372 mg/L at 25°C
Vapor Pressure: 0.031 mm Hg at 25°C
Henry's Law Constant: 3.91E-06 atm-m3/mole at 25°C
Atmospheric OH Rate Constant: 1.22E-12 cm3/molecule-sec at 25°C
InChI
InChI=1/C8H7BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3
Smiles
c1(C(C)=O)ccc(Br)cc1
4'-Bromoacetophenone (CAS NO.99-90-1) is can be used as intermediates of liquid crystals.
Hazard Codes: CXiXn
Risk Statements: 34-36/38-42/43-36/37/38
R34: Causes burns
R36/38: Irritating to eyes and skin
R42/43: May cause sensitization by inhalation and skin contact
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36/37/39-45-22-36/37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S22: Do not breathe dust
S36/37: Wear suitable protective clothing and gloves
RIDADR: UN 3261 8/PG 2
WGK Germany: 2
RTECS: AM6950000
F: 19-21
F19: Lachrymator
F21: Sensitive to humidity
Hazard Note: Irritant
HS Code: 29147090
4'-Bromoacetophenone (CAS NO.99-90-1) is also called as 4-Bromoacetophenone ; p-Bromoacetophenone ; Methyl p-bromophenyl ketone ; p-Bromophenyl methyl ketone ; Acetophenone, 4'-bromo- (8CI) ; Ethanone, 1-(4-bromophenyl)- .
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