Conditions | Yield |
---|---|
With solution aqueuse d'hydroxide de sodium; tetrabutylammomium bromide In dichloromethane 1)room temp. 12h 2)reflux 3h; | 100% |
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
Conditions | Yield |
---|---|
In xylene at 140℃; for 0.75h; Rearrangement; | 100% |
theophylline sodium salt
carbonic acid dimethyl ester
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
Conditions | Yield |
---|---|
With 1,8-diazabicyclo[5.4.0]undec-7-ene In water; ethylene glycol at 135℃; for 4h; Autoclave; Green chemistry; | 98.4% |
With PEG 400 In 5,5-dimethyl-1,3-cyclohexadiene at 140℃; for 12h; Solvent; Concentration; Temperature; Reagent/catalyst; | 94.9% |
With NaY (Y-type sodium zeolite catalyst); turkey red oil In water for 5h; Reflux; |
methyl bromide
theophylline
A
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
B
3-benzyladenine
Conditions | Yield |
---|---|
With solution aqueuse d'hydroxide de sodium; tetrabutylammomium bromide In dichloromethane 1)20 deg C, 12h 2)40 deg C, 3h; | A 98% B n/a |
Methyl formate
1,3-Dimethylxanthine potassium salt
A
theophylline
B
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
Conditions | Yield |
---|---|
In methanol | A 97.5% B n/a |
methanol
1,3-Dimethylxanthine potassium salt
A
Methyl formate
B
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
Conditions | Yield |
---|---|
With carbon monoxide at 140℃; under 37503 Torr; for 20h; | A n/a B 97% |
Conditions | Yield |
---|---|
With sodium hydride In dimethyl sulfoxide for 0.75h; | 95% |
With sodium hydride In dimethyl sulfoxide at 20℃; for 24h; Reagent/catalyst; | 90% |
methyl bromide
theobromine /
A
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
B
3-benzyladenine
Conditions | Yield |
---|---|
With solution aqueuse d'hydroxide de sodium; tetrabutylammomium bromide In dichloromethane 1)20 deg C, 12h 2)40 deg C, 3h; | A 94% B n/a |
3-methylxanthine
dimethyl sulfate
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
Conditions | Yield |
---|---|
With tetramethyl ammoniumhydroxide; potassium carbonate In methanol; water at 65 - 70℃; | 92.5% |
theobromine /
dimethyl sulfate
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
Conditions | Yield |
---|---|
potassium fluoride on basic alumina In acetonitrile for 24h; Ambient temperature; | 92% |
With sodium hydroxide |
theophylline
carbonic acid dimethyl ester
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
Conditions | Yield |
---|---|
With cetyltrimethylammonium bromide; N-ethyl-N,N-diisopropylamine In toluene at 140℃; for 9h; Solvent; Concentration; Reagent/catalyst; Temperature; | 90.7% |
With 18-crown-6 ether In N,N-dimethyl-formamide at 90℃; for 12h; | 67% |
With DABCO-NaY (1:1 DABCO Y-type sodium zeolite catalyst); turkey red oil In water for 5h; Reagent/catalyst; Reflux; |
theophylline
methyl iodide
A
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
B
3-benzyladenine
Conditions | Yield |
---|---|
With solution aqueuse d'hydroxide de sodium; tetrabutylammomium bromide In dichloromethane 1)20 deg C, 12h 2)40 deg C, 3h; | A 90% B n/a |
theophylline
dimethyl sulfate
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
Conditions | Yield |
---|---|
potassium fluoride on basic alumina In acetonitrile for 24h; Ambient temperature; | 88% |
With sodium hydroxide | |
With sodium hydroxide | |
With potassium hydroxide; Aliquat 336 1.) 20 deg C, 2 h, 2.) 1 h; Yield given. Multistep reaction; |
theophylline
diphenylmethylsulfonium tetrafluoroborate
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
Conditions | Yield |
---|---|
With potassium hydroxide In water; N,N-dimethyl-formamide at 20℃; for 3h; | 88% |
Trimethylsulfonium Fluoride
Theophylline
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 100℃; for 1h; | 86% |
xanthin
N,N'-dicyclohexyl-O-methyl isourea
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 100℃; for 48h; | 85% |
Conditions | Yield |
---|---|
With copper(I) thiophene-2-carboxylate; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(5-methyl-2-(4-fluorophenyl)pyridine(-1H))-iridium(III) hexafluorophosphate; N,N,N′,N′-tetramethyl-N″-tert-butylguanidine; bathophenanthroline; iodomesitylene diacetate In 1,4-dioxane at 20℃; for 1h; Inert atmosphere; Irradiation; regioselective reaction; | 82% |
4--1-methyl-5-methylaminocarbonylimidazole
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
Conditions | Yield |
---|---|
With sodium hydride In ethanol for 1.5h; Heating; | 81% |
theobromine /
carbonic acid dimethyl ester
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
Conditions | Yield |
---|---|
With 18-crown-6 ether In N,N-dimethyl-formamide at 90℃; for 12h; | 78% |
1-methyl-9-aminoxanthine potassium salt
methyl iodide
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 100℃; for 3h; | 76% |
carbonic acid dimethyl ester
xanthin
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
Conditions | Yield |
---|---|
With 18-crown-6 ether In N,N-dimethyl-formamide at 90℃; for 12h; | 74% |
8-bromocaffeine
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
Conditions | Yield |
---|---|
With copper In N,N-dimethyl-formamide for 2h; Heating; | 72% |
1-methyl-9-aminoxanthine
methyl iodide
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 100℃; for 1h; | 71% |
4-(N-trichloroacetyl-N-methylamino)-1-methyl-5-methylaminocarbonylimidazole
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
Conditions | Yield |
---|---|
With sodium hydride In ethanol for 2h; Heating; | 66% |
Conditions | Yield |
---|---|
With cerium(III) chloride; 9,10-diphenylanthracene; 1,2-bis(2,4,6-triisopropylphenyl)disulfane; tetrabutyl-ammonium chloride In acetonitrile for 168h; Irradiation; Inert atmosphere; | 63% |
Conditions | Yield |
---|---|
potassium fluoride on basic alumina In acetonitrile for 24h; Ambient temperature; | 61% |
With alkaline solution | |
With sodium hydroxide |
theobromine /
methyl iodide
A
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
B
3-benzyladenine
Conditions | Yield |
---|---|
With solution aqueuse d'hydroxide de sodium; tetrabutylammomium bromide In dichloromethane 1)20 deg C, 12h 2)40 deg C, 3h; | A 56% B n/a |
1,3,7,9-tetramethylxanthinium methyl sulfate
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
Conditions | Yield |
---|---|
at 260℃; for 15h; | 25% |
theophylline
methyl p-toluene sulfonate
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
Conditions | Yield |
---|---|
With sodium hydroxide |
Conditions | Yield |
---|---|
With chlorine In chloroform | 100% |
With chlorine In chloroform at 50℃; for 2h; | 100% |
With trichloroisocyanuric acid; brilliant green carbocation In acetonitrile at 20℃; for 2h; Irradiation; regioselective reaction; | 78% |
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
8-bromocaffeine
Conditions | Yield |
---|---|
With N-Bromosuccinimide In dichloromethane; water for 120h; | 100% |
With N-Bromosuccinimide In dichloromethane; water for 120h; | 99% |
With N-Bromosuccinimide In dichloromethane; water for 120h; | 99% |
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
Conditions | Yield |
---|---|
With [(N,N’-bis(1R,2R,3R,5S)-(−)-isopinocampheyl-1,2-ethanediimine-radical)NiI(μ2-H)]2; deuterium In tetrahydrofuran at -196 - 45℃; under 760.051 Torr; for 24h; Sealed tube; | 100% |
With deuteromethanol; silver carbonate; johnphos In dichloromethane at 50 - 80℃; | 98% |
With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; deuterium In tetrahydrofuran at 55℃; under 750.075 Torr; for 22h; Inert atmosphere; | 92% |
With palladium 10% on activated carbon; hydrogen; water-d2 at 90℃; for 1.5h; | 86.9% |
With water-d2 at 150℃; for 0.25h; Microwave irradiation; |
Conditions | Yield |
---|---|
With palladium diacetate; caesium carbonate; tricyclohexylphosphine tetrafluoroborate In toluene at 20 - 130℃; for 24h; Inert atmosphere; | 99% |
With potassium phosphate; palladium diacetate In 1-methyl-pyrrolidin-2-one at 125℃; for 24h; | 86% |
1-bromo-4-methoxy-benzene
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
1,3,7-trimethyl-8-(p-methoxyphenyl)-xanthine
Conditions | Yield |
---|---|
With potassium phosphate; palladium diacetate; Trimethylacetic acid In N,N-dimethyl-formamide at 20 - 120℃; for 7.16667h; Inert atmosphere; | 99% |
With potassium phosphate; copper(l) iodide; 1,10-Phenanthroline In 5,5-dimethyl-1,3-cyclohexadiene; N,N-dimethyl-formamide at 20 - 140℃; for 36.1667h; Inert atmosphere; regioselective reaction; | 98% |
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
diphenyl acetylene
(E)-8-(1,2-Diphenylethenyl)-3,7-dihydro-1,3,7-trimethyl-1H-purin-2,6-dion
Conditions | Yield |
---|---|
With chloro(1,5-cyclooctadiene)rhodium(I) dimer; cesium acetate; 1,2-bis-(diphenylphosphino)ethane In toluene at 120℃; for 24h; Sealed vial; optical yield given as %de; stereoselective reaction; | 99% |
With bis(dibenzylideneacetone)-palladium(0); tricyclohexylphosphine; Trimethylacetic acid In N,N-dimethyl acetamide at 130℃; for 14h; Inert atmosphere; Glovebox; stereoselective reaction; | 69% |
tert-butyl N-(thiophen-2-ylmethyl)carbamate
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
tert-butyl N-((5-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl) thiophen-2-yl)methyl)carbamate
Conditions | Yield |
---|---|
With pyridine; palladium diacetate; copper(II) acetate monohydrate; copper(l) chloride In 1,4-dioxane at 120℃; for 20h; Schlenk technique; Inert atmosphere; | 99% |
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
2-iodonaphthalene
1,3,7-trimethyl-8-(naphthalen-2-yl)-xanthine
Conditions | Yield |
---|---|
With (1-(2-(tert-butylamino)ethyl)-3-mesityl-2,3-dihydro-1H-imidazol-2-yl)copper(I) iodide; lithium tert-butoxide In N,N-dimethyl-formamide at 140℃; for 8h; Glovebox; | 99% |
Conditions | Yield |
---|---|
With tetrabutylammonium tetrafluoroborate In acetonitrile at 45℃; for 10h; Temperature; Inert atmosphere; Electrochemical reaction; Green chemistry; diastereoselective reaction; | 99% |
Conditions | Yield |
---|---|
With tetrabutylammonium tetrafluoroborate In acetonitrile at 45℃; for 10h; Inert atmosphere; Electrochemical reaction; Green chemistry; diastereoselective reaction; | 99% |
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
4-bromo-3-methyl-1H-pyrazole
Conditions | Yield |
---|---|
With tetrabutylammonium tetrafluoroborate In acetonitrile at 45℃; for 10h; Inert atmosphere; Electrochemical reaction; Green chemistry; diastereoselective reaction; | 99% |
Conditions | Yield |
---|---|
In methanol; cyclohexane at 17 - 22℃; under 724.572 - 782.178 Torr; for 0.5h; | 98.3% |
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
2,6-dithiocaffeine
Conditions | Yield |
---|---|
With Lawessons reagent; aluminum oxide for 0.1h; microwave irradiation; | 98% |
With Lawessons reagent In toluene for 25h; Reflux; | 75% |
With bis(1,5-cyclooctadiylboryl)sulfide In 1,3,5-trimethyl-benzene for 336h; Heating; | 62% |
With kerosine |
d6-dimethyl sulfate
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
Conditions | Yield |
---|---|
In nitrobenzene at 90 - 100℃; for 25h; | 98% |
ethanol
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
8-(1-hydroxyethyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Conditions | Yield |
---|---|
With tert.-butylhydroperoxide In decane at 120℃; for 0.333333h; Reagent/catalyst; Solvent; Temperature; Time; Microwave irradiation; Green chemistry; | 98% |
With di-tert-butyl peroxide In water at 20℃; Inert atmosphere; UV-irradiation; | 96% |
With benzophenone Ambient temperature; Irradiation; |
bromobenzene
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
1,3,7-trimethyl-8-phenylxanthine
Conditions | Yield |
---|---|
With potassium phosphate; palladium diacetate; Trimethylacetic acid In N,N-dimethyl-formamide at 20 - 120℃; for 7.16667h; Inert atmosphere; | 98% |
With potassium phosphate; copper(l) iodide; 1,10-Phenanthroline In 5,5-dimethyl-1,3-cyclohexadiene; N,N-dimethyl-formamide at 20 - 140℃; for 36.1667h; Inert atmosphere; regioselective reaction; | 93% |
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
9-bromophenanthrene
3,7-Dihydro-1,3,7-trimethyl-8-(9-phenanthryl)-1H-purin-2,6-dion
Conditions | Yield |
---|---|
With potassium phosphate; palladium diacetate; Trimethylacetic acid In N,N-dimethyl-formamide at 20 - 120℃; for 7.16667h; Inert atmosphere; | 98% |
With potassium phosphate; copper(l) iodide; 1,10-Phenanthroline In 5,5-dimethyl-1,3-cyclohexadiene; N,N-dimethyl-formamide at 20 - 140℃; for 36.1667h; Inert atmosphere; regioselective reaction; | 95% |
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
8-deuterio-1,3,7-tris(trideuteriomethyl)xanthine
Conditions | Yield |
---|---|
With palladium 10% on activated carbon; hydrogen; water-d2 at 160℃; for 24h; | 98% |
Conditions | Yield |
---|---|
Stage #1: 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione; trimethoxonium tetrafluoroborate In acetonitrile at 20℃; for 0.0833333h; Inert atmosphere; Schlenk technique; Stage #2: With sodium carbonate In acetonitrile at 20℃; for 0.916667h; | 97% |
In 1,2-dichloro-ethane at 100℃; for 1h; | 66% |
In 1,2-dichloro-ethane Inert atmosphere; Schlenk technique; Reflux; |
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
para-iodoanisole
1,3,7-trimethyl-8-(p-methoxyphenyl)-xanthine
Conditions | Yield |
---|---|
With (1-(2-(tert-butylamino)ethyl)-3-mesityl-2,3-dihydro-1H-imidazol-2-yl)copper(I) iodide; lithium tert-butoxide In N,N-dimethyl-formamide at 140℃; for 8h; Glovebox; | 97% |
With potassium phosphate; palladium diacetate; Trimethylacetic acid In N,N-dimethyl-formamide at 20 - 120℃; for 7.16667h; Inert atmosphere; | 92% |
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
4-iodo-3-methyl-1H-pyrazole
Conditions | Yield |
---|---|
With tetrabutylammonium tetrafluoroborate In acetonitrile at 45℃; for 10h; Inert atmosphere; Electrochemical reaction; Green chemistry; diastereoselective reaction; | 97% |
Conditions | Yield |
---|---|
With potassium phosphate; palladium diacetate; Trimethylacetic acid In N,N-dimethyl-formamide at 20 - 120℃; for 7.16667h; Inert atmosphere; | 96% |
With potassium phosphate; copper(l) iodide; 1,10-Phenanthroline In 5,5-dimethyl-1,3-cyclohexadiene; N,N-dimethyl-formamide at 20 - 140℃; for 36.1667h; Inert atmosphere; regioselective reaction; | 96% |
With 2-ethyl-[1,2,4] triazolo[4,3-a]pyridin-2-ium tetrafluoroborate; palladium diacetate; potassium carbonate In N,N-dimethyl-formamide at 115℃; for 22h; Inert atmosphere; | 94% |
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
2-methylphenyl bromide
1,3,7-trimethyl-8-(o-tolyl)-xanthine
Conditions | Yield |
---|---|
With potassium phosphate; palladium diacetate; Trimethylacetic acid In N,N-dimethyl-formamide at 20 - 120℃; for 7.16667h; Inert atmosphere; | 96% |
With potassium phosphate; copper(l) iodide; 1,10-Phenanthroline In 5,5-dimethyl-1,3-cyclohexadiene; N,N-dimethyl-formamide at 20 - 140℃; for 36.1667h; Inert atmosphere; regioselective reaction; | 88% |
2-Methylthiophene
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
1,3,7-trimethyl-8-(5-methylthiophen-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Conditions | Yield |
---|---|
Stage #1: 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione With pyridine; palladium diacetate; copper(II) acetate monohydrate In 1,4-dioxane at 20℃; for 0.166667h; Inert atmosphere; Stage #2: 2-Methylthiophene In 1,4-dioxane at 120℃; for 20h; Inert atmosphere; | 96% |
With pyridine; palladium diacetate; copper(II) acetate monohydrate In 1,4-dioxane at 120℃; for 24h; Schlenk technique; Inert atmosphere; | 92% |
With pyridine; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; oxygen; copper(II) acetate monohydrate In 1,4-dioxane at 140℃; under 760.051 Torr; for 30h; Schlenk technique; Green chemistry; | 89% |
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