1,3-Dimethylbarbituric acid supplier

Name
1,3-Dimethylbarbituric acid
EINECS 212-211-7
CAS No. 769-42-6
Article Data44
CAS DataBase
Density 1.322 g/cm³
Solubility Soluble in water.
Melting Point 121-123 °C(lit.)
Formula C₆H₈N₂O₃
Boiling Point 228.1 °C at 760 mmHg
Molecular Weight 156.141
Flash Point 95.3 °C
Transport Information
Appearance Yellow or brownish powder
Safety 26-36/39
Risk Codes 22-41
Molecular Structure
Hazard Symbols Xn
Synonyms Barbituricacid, 1,3-dimethyl- (6CI,7CI,8CI);1,3-Dimethyl-1,3-diazacyclohexane-2,4,6-trione;6-Hydroxy-1,3-dimethyluracil;Dimethylbarbituric acid;N,N-Dimethylbarbituricacid;N,N'-Dimethyl-2,4,6-pyrimidinetrione;N,N'-Dimethylbarbituric acid;NSC61918;
PSA 57.69000
LogP -0.69730

Synthetic route

: 56983-59-6
5,5-dibromo-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione

: 108-95-2
phenol

A: 769-42-6
1,3-dimethylbarbituric acid

B: 106-41-2
4-bromo-phenol

Conditions

Conditions	Yield
at 100℃; for 48h;	A 81% B 91%
at 100℃; for 48h;	A 81% B n/a

...Expand

: 4097-20-5
6-methoxy-1,3-dimethyluracil

: 769-42-6
1,3-dimethylbarbituric acid

Conditions

Conditions	Yield
With hydrogenchloride In ethanol for 0.833333h; Heating;	90%

: 96-31-1
N,N'-Dimethylurea

: 141-82-2
malonic acid

: 769-42-6
1,3-dimethylbarbituric acid

Conditions

Conditions	Yield
In acetic anhydride	85%
With acetic anhydride at 90℃; 1) 65 deg C, 30 min; 2) 90 deg C, 4 h;	68%
With acetic anhydride
With water

: 3158-63-2
1,3-dimethylthiobarbituric acid

: 769-42-6
1,3-dimethylbarbituric acid

Conditions

Conditions	Yield
With trans-3,5-dihydroperoxy-3,5-dimethyl-1,2-dioxolane; water; potassium hydroxide In acetonitrile at 20℃; for 0.25h;	80%

: 77-78-1
dimethyl sulfate

: C11H8N2O3(2-)*2Li(1+)

A: 769-42-6
1,3-dimethylbarbituric acid

B: 4097-20-5
6-methoxy-1,3-dimethyluracil

C: 82922-17-6
N-methyl-N'-benzyl-barbituric acid

Conditions

Conditions	Yield
In water at 10℃; Yields of byproduct given;	A n/a B n/a C 77%

...Expand

: 77-78-1
dimethyl sulfate

: C5H4N2O3(2-)*2Li(1+)

: 769-42-6
1,3-dimethylbarbituric acid

Conditions

Conditions	Yield
In water at 10℃;	76%

: 74-89-5
methylamine

: 30914-82-0
3-methyl-6-chloro-3,4-dihydro-2H-1,3-oxazine-2,4-dione

: 769-42-6
1,3-dimethylbarbituric acid

Conditions

Conditions	Yield
In tetrahydrofuran at 0 - 5℃; for 0.25h;	74%
With acetic acid In tetrahydrofuran; water for 0.25h;	45%
With acetic acid In tetrahydrofuran; water for 0.25h; Mechanism;	45%

: 1063626-88-9
1,3-dimethyl-5-(2-oxo-2-phenylethylidene)-pyrimidine-2,4,6(1H,3H,5H)-trione

: 1575-37-7
4-Bromo-benzene-1,2-diamine

A: 769-42-6
1,3-dimethylbarbituric acid

B: 898825-98-4
6-bromo-2-phenyl-quinoxaline

Conditions

Conditions	Yield
In methanol for 1h; Heating;	A n/a B 68%

...Expand

: 1063626-88-9
1,3-dimethyl-5-(2-oxo-2-phenylethylidene)-pyrimidine-2,4,6(1H,3H,5H)-trione

: 95-54-5
1,2-diamino-benzene

A: 769-42-6
1,3-dimethylbarbituric acid

B: 5021-43-2
2-phenylquinoxaline

Conditions

Conditions	Yield
In methanol for 1h; Heating;	A n/a B 64%

...Expand

: 6972-27-6
1,3-Dimethyl-6-chlorouracil

A: 769-42-6
1,3-dimethylbarbituric acid

: 5-chloro-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione

Conditions

Conditions	Yield
With trifluoroacetic acid In benzene at -25℃; for 3h; Irradiation;	A 50% B 7.5%

: 96-31-1
N,N'-Dimethylurea

: 105-53-3
diethyl malonate

: 769-42-6
1,3-dimethylbarbituric acid

Conditions

Conditions	Yield
With ethanol; sodium In neat liquid at 60℃; for 0.5h; Reagent/catalyst; Sonication;	47%
With sodium methylate In methanol 1.) 10 min, reflux, 2.) 6 h, 110 deg C; Yield given;
With sodium ethanolate In ethanol Reflux;

: 77-78-1
dimethyl sulfate

: C4H2N2O3(2-)*2Li(1+)

: 769-42-6
1,3-dimethylbarbituric acid

Conditions

Conditions	Yield
In water at 10℃;	42%

: 6972-27-6
1,3-Dimethyl-6-chlorouracil

: 71-43-2
benzene

A: 769-42-6
1,3-dimethylbarbituric acid

B: 134886-54-7
1,3-dimethylcyclooctapyrimidine-2,4-dione

: 5-chloro-1,3-dimethyl-4b,5,7a,8-tetrahydro-(4bα,5α,8α)-pentaleno<1,2-e>pyrimidine-2,4-dione

: 7-chloro-1,3-dimethyl-4b,7,7a,8-tetrahydro-(4bα,7α,7aα)-pentaleno<1,2-e>pyrimidine-2,4-dione

: 5-chloro-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione

Conditions

Conditions	Yield
With trifluoroacetic acid at -25℃; for 1h; Product distribution; Mechanism; Irradiation; var. time, temp.;	A 24.5% B 4.3% C 2.8% D 2.1% E 5.9%

...Expand

: 67-52-7
BARBITURIC ACID

: furan-2,3,5(4H)-trione pyridine (1:1)

: 77-78-1
dimethyl sulfate

: 769-42-6
1,3-dimethylbarbituric acid

...Expand

: 67-52-7
BARBITURIC ACID

: 77-78-1
dimethyl sulfate

: 769-42-6
1,3-dimethylbarbituric acid

Conditions

Conditions	Yield
With sodium hydroxide

: 6642-31-5
6-Amino-1,3-dimethylbarbituric acid

: 769-42-6
1,3-dimethylbarbituric acid

Conditions

Conditions	Yield
With hydrogenchloride

: 598-94-7
1,1-Dimethylurea

: 16130-58-8
cyanoacetic acid chloride

A: 769-42-6
1,3-dimethylbarbituric acid

B: 6642-31-5
6-Amino-1,3-dimethylbarbituric acid

...Expand

: 598-94-7
1,1-Dimethylurea

: 141-82-2
malonic acid

: 769-42-6
1,3-dimethylbarbituric acid

Conditions

Conditions	Yield
With acetic anhydride; acetic acid at 60 - 90℃;

: 21544-73-0
5,5-dichloro-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione

: 769-42-6
1,3-dimethylbarbituric acid

Conditions

Conditions	Yield
With phosphonium iodide; hydrogen iodide
With palladium on activated charcoal; acetone Hydrogenation;

: 56983-59-6
5,5-dibromo-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione

: 769-42-6
1,3-dimethylbarbituric acid

Conditions

Conditions	Yield
With hydrogenchloride; tin(ll) chloride

: 598-94-7
1,1-Dimethylurea

: 1663-67-8
malonoyl dichloride

: 769-42-6
1,3-dimethylbarbituric acid

Conditions

Conditions	Yield
With trichlorophosphate

: 15486-96-1
3-Bromopropionyl chloride

: 4318-53-0
6-(1-methylhydrazino)uracil

A: 769-42-6
1,3-dimethylbarbituric acid

B: N-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-6-yl)-N-methyl-N'-acrylolylhydrazine

C: 1,3-Dimethyl-6-[methyl-(2-oxo-azetidin-1-yl)-amino]-1H-pyrimidine-2,4-dione

Conditions

Conditions	Yield
With potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride In dichloromethane Yield given. Yields of byproduct given;

...Expand

: N-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-6-yl)-N-methyl-N'-acrylolylhydrazine

A: 769-42-6
1,3-dimethylbarbituric acid

B: Acrylic acid N'-methyl-hydrazide

Conditions

Conditions	Yield
With sodium hydrogencarbonate In dichloromethane for 168h;

: 2-Bromo-acrylic acid N'-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin-4-yl)-N'-methyl-hydrazide

A: 769-42-6
1,3-dimethylbarbituric acid

B: 2-Bromo-acrylic acid N'-methyl-hydrazide

Conditions

Conditions	Yield
With sodium hydrogencarbonate In dichloromethane for 168h;

: 18791-02-1
2,3-dibromo-propionyl chloride

: 4318-53-0
6-(1-methylhydrazino)uracil

A: 769-42-6
1,3-dimethylbarbituric acid

B: 2-Bromo-acrylic acid N'-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin-4-yl)-N'-methyl-hydrazide

C: 6-[(3-Bromo-2-oxo-azetidin-1-yl)-methyl-amino]-1,3-dimethyl-1H-pyrimidine-2,4-dione

Conditions

Conditions	Yield
With potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride In dichloromethane Yield given. Yields of byproduct given;

...Expand

: 34661-75-1
urapidil

A: 769-42-6
1,3-dimethylbarbituric acid

B: 20529-23-1
3-(4-(2-methoxyphenyl)piperazin-1-yl)propylamine

Conditions

Conditions	Yield
With hydrogenchloride at 79.9℃; Rate constant; Kinetics; Mechanism; var. pH and temp.;

: 110449-10-0
5-(2',4'-dinitrobenzylidene)-1,3-dimethylbarbituric acid

A: 769-42-6
1,3-dimethylbarbituric acid

B: 528-75-6
2,4-dinitrobenzaldehyde

Conditions

Conditions	Yield
With sodium chloride In water at 25℃; Equilibrium constant;

: 77-78-1
dimethyl sulfate

: C4H2N2O3(2-)*2K(1+)

A: 769-42-6
1,3-dimethylbarbituric acid

B: 4097-20-5
6-methoxy-1,3-dimethyluracil

C: 15018-50-5
1-phenyl-pyrimidine-2,4,6-trione

Conditions

Conditions	Yield
In water at 10℃; Yield given. Yields of byproduct given;

...Expand

: 77-78-1
dimethyl sulfate

: C4H2N2O3(2-)*2Na(1+)

A: 769-42-6
1,3-dimethylbarbituric acid

B: 4097-20-5
6-methoxy-1,3-dimethyluracil

C: 15018-50-5
1-phenyl-pyrimidine-2,4,6-trione

Conditions

Conditions	Yield
In water at 10℃; Yield given. Yields of byproduct given;

...Expand

: 77-78-1
dimethyl sulfate

: C5H4N2O3(2-)*2K(1+)

A: 769-42-6
1,3-dimethylbarbituric acid

B: 7358-61-4
1,3,5-trimethylbarbituric acid

C: 4097-20-5
6-methoxy-1,3-dimethyluracil

Conditions

Conditions	Yield
In water at 10℃; Yield given. Yields of byproduct given;

...Expand

: 769-42-6
1,3-dimethylbarbituric acid

: 123-08-0
4-hydroxy-benzaldehyde

: 57270-80-1
1,3-dimethyl-5-(4-hydroxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione

Conditions

Conditions	Yield
at 20℃; for 1h; Knoevenagel condensation;	100%
In water for 0.333333h; Knoevenagel Condensation; Milling;	97%
With iron oxide; ammonium acetate In ethanol; water for 0.333333h; Reagent/catalyst; Knoevenagel Condensation; Reflux;	91%

: 186581-53-3, 908094-01-9
diazomethane

: 769-42-6
1,3-dimethylbarbituric acid

: 4097-20-5
6-methoxy-1,3-dimethyluracil

Conditions

Conditions	Yield
In methanol at 20℃; Product distribution; further solvent, various ratio of educts;	100%
In diethyl ether at 20℃; for 24h;
In diethyl ether at 20℃; for 24h; oth. solvents;	100 % Spectr.

: 769-42-6
1,3-dimethylbarbituric acid

: 14305-99-8
1,3-dimethyl-5-nitro-pyrimidin-2,4,6(1H,3H,5H)-trione

Conditions

Conditions	Yield
With Nitrogen dioxide under 225.02 Torr; for 4h;	100%
Stage #1: 1,3-dimethylbarbituric acid With acetic acid In water at 75℃; for 0.5h; Stage #2: With sodium nitrite at 20℃; for 1h;	90%
With sulfuric acid; nitric acid In water at 20℃;

: 769-42-6
1,3-dimethylbarbituric acid

: 100-10-7
4-dimethylamino-benzaldehyde

: 57270-81-2
5-(4-dimethylamino-benzylidene)-1,3-dimethyl-pyrimidine-2,4,6-trione

Conditions

Conditions	Yield
In methanol Knoevenagel Condensation; Reflux;	100%
With Cyclohexyl isocyanide In N,N-dimethyl-formamide at 25℃; for 0.5h; Knoevenagel condensation;	95%
In ethanol; water at 60℃; for 60h; Knoevenagel Condensation;	92%

: 769-42-6
1,3-dimethylbarbituric acid

: 4,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-3-diazonium nitrate

: 1,3-dimethyl-5-{(4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)hydrazono}pyrimidine-2,4,6(1H,3H,5H)-trione

Conditions

Conditions	Yield
With trimethylamine at 20℃; under 375.03 Torr; for 12h;	100%

: 769-42-6
1,3-dimethylbarbituric acid

: 7,9-dimethylcyclohepta[b]pyrimido[5,4-d]furan-8(7H),10(9H)-dionylium tetrafluoroborate

: 5,5-bis-(1,3-dimethyl-2,4-dioxo-1,3,4,7-tetrahydro-2H-10-oxa-1,3-diaza-benzo[a]azulen-7-yl)-1,3-dimethyl-pyrimidine-2,4,6-trione

Conditions

Conditions	Yield
With triethylamine In acetonitrile at 20℃; for 2h;	100%

: 769-42-6
1,3-dimethylbarbituric acid

: 708-06-5
2-hydroxynaphthalene-1-carbaldehyde

: 8,10-dimethyl-12-(1,3-dimethyl-2,4,6(1H,3H,5H)-trioxopyrimidin-5-yl)naphtho[1',2':5,6]pyrano[2,3-d]pyrimidine-9,11(8H,10H)-dione

Conditions

Conditions	Yield
In ethanol for 2h; Heating;	100%

: C17H22NFO

: 769-42-6
1,3-dimethylbarbituric acid

: C23H28O3FN3

Conditions

Conditions	Yield
In butan-1-ol at 75℃; for 20h;	100%

: 769-42-6
1,3-dimethylbarbituric acid

: 938138-99-9
2-(pyrrolidin-1-yl)quinoline-3-carbaldehyde

: 918937-87-8
(+/-)-1',3'-dimethyl-1,2,3,3a-tetrahydro-2'H,5H-spiro[benzo[g]pyrrolo[1,2-a]-1,8-naphthyridine-4,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione

Conditions

Conditions	Yield
In butan-1-ol at 75℃; for 30h;	100%

: 769-42-6
1,3-dimethylbarbituric acid

: 736991-35-8
3-fluoro-2-(morpholin-4-yl)benzaldehyde

: 1028090-38-1
(+/-)-10-fluoro-1',3'-dimethyl-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione

Conditions

Conditions	Yield
In butan-1-ol at 100℃; for 6h;	100%

: 769-42-6
1,3-dimethylbarbituric acid

: 1028090-24-5
6-(4-methylpiperazin-1-yl)[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde

: 1028090-50-7
(+/-)-1',3,3'-trimethyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[1,3-benzodioxolo[5,6-g]pyrazino[1,2-a]-1,8-naphthyridine-5,5'-pyrimidine]-2',4',6'(1'H,3'H) trione

Conditions

Conditions	Yield
In butan-1-ol at 75℃; for 30h;	100%

: 769-42-6
1,3-dimethylbarbituric acid

: 555-16-8
4-nitrobenzaldehdye

: 109-77-3
malononitrile

: 496971-17-6
7‑amino‑5‑(4‑nitrophenyl)‑1,3‑dimethyl‑2,4‑dioxo‑1,3,4,5‑tetrahydro‑2H‑pyrano[2,3‑d]pyrimidine‑6‑carbonitrile

Conditions

Conditions	Yield
With [Zn2(amino-1,4-benzenedicarboxylate)2(2,5-bis(4-pyridyl)-3,4-diaza-2,4-hexadiene)]*3DMF In water for 1h; Reflux; Green chemistry;	100%
With water glass In neat (no solvent) for 0.25h; Milling; Heating;	97%
In water at 70℃; for 0.833333h; Green chemistry;	97%

...Expand

: 769-42-6
1,3-dimethylbarbituric acid

: 552-89-6
2-nitro-benzaldehyde

: 109-77-3
malononitrile

: 298219-13-3
7‑amino‑5‑(2‑nitrophenyl)‑1,3‑dimethyl‑2,4‑dioxo‑1,3,4,5‑tetrahydro‑2H‑pyrano[2,3‑d]pyrimidine‑6‑carbonitrile

Conditions

Conditions	Yield
With [Zn2(amino-1,4-benzenedicarboxylate)2(2,5-bis(4-pyridyl)-3,4-diaza-2,4-hexadiene)]*3DMF In water for 1h; Reflux; Green chemistry;	100%
In water at 70℃; for 0.75h; Green chemistry;	95%
With polyethylene glycol-stabilized Ni(0) nano particles In ethylene glycol at 20℃; for 0.0833333h;	93%
With L-prolinium nitrate In water at 20℃; for 0.0666667h; Temperature; Sonication; Green chemistry;	93%
With water glass In neat (no solvent) for 0.416667h; Milling; Heating;	83%

...Expand

: 769-42-6
1,3-dimethylbarbituric acid

: 79422-67-6
2-(N,N-diethylaminomethyl)benzaldehyde

: 1582807-51-9
C18H23N3O3

Conditions

Conditions	Yield
In ethanol at 20℃; for 1h; Inert atmosphere;	100%

: 5153-67-3
nitrostyrene

: 769-42-6
1,3-dimethylbarbituric acid

: 1,3-dimethyl-5-(2-nitro-1-phenylethyl)pyrimidine-2,4,6(1H,3H,5H)-trione

Conditions

Conditions	Yield
With 2Zn(2+)2NO3(1-)2C3H7NO2Y(3+)4C14H11NO3(2-) In ethanol; water at 20℃; for 0.25h; Reagent/catalyst; Michael Addition;	100%
With water; diethylamine at 20℃; for 1h; Reagent/catalyst; Time; Michael Addition; Green chemistry;	99%

: 769-42-6
1,3-dimethylbarbituric acid

: 99-61-6
3-nitro-benzaldehyde

: 109-77-3
malononitrile

: 1072002-79-9
7-amino-1,3-dimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano [2,3-d]pyrimidine-6-carbonitrile

Conditions

Conditions	Yield
With [Zn2(amino-1,4-benzenedicarboxylate)2(2,5-bis(4-pyridyl)-3,4-diaza-2,4-hexadiene)]*3DMF In water for 1h; Reflux; Green chemistry;	100%
With L-prolinium nitrate In water at 20℃; for 0.0666667h; Temperature; Sonication; Green chemistry;	95%
With urea-based ionic liquid stabilized on silica-coated Fe3O4 magnetic nanoparticles In neat (no solvent) at 60℃; for 0.5h; Green chemistry;	94%

...Expand

: 769-42-6
1,3-dimethylbarbituric acid

: 623-27-8
terephthalaldehyde,

: 126-81-8
dimedone

: 109-89-7
diethylamine

: 1621511-22-5
4-((6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl)benzaldehyde diethylaminium salt

Conditions

Conditions	Yield
In water at 20℃; Inert atmosphere;	100%
With water at 20℃; Green chemistry;	90%

...Expand

: 769-42-6
1,3-dimethylbarbituric acid

: 104-87-0
4-methyl-benzaldehyde

: 109-89-7
diethylamine

: 1621510-97-1
5,5'-(p-tolylmethylene)bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione) diethylaminium salt

Conditions

Conditions	Yield
In water at 20℃; Inert atmosphere;	100%
With water; dimedone at 20℃; Green chemistry;	97%

...Expand

: 769-42-6
1,3-dimethylbarbituric acid

: 555-16-8
4-nitrobenzaldehdye

: 109-89-7
diethylamine

: 1621510-98-2
5,5'-((4-nitrophenyl)methylene)bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione) diethylaminium salt

Conditions

Conditions	Yield
In water at 20℃; Inert atmosphere;	100%
With water; dimedone at 20℃; Green chemistry;	87%

...Expand

: 769-42-6
1,3-dimethylbarbituric acid

: 123-11-5
4-methoxy-benzaldehyde

: 109-89-7
diethylamine

: 1621510-99-3
5,5'-((4-methoxyphenyl)methylene)bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione) diethylaminium salt

Conditions

Conditions	Yield
In water at 20℃; Inert atmosphere;	100%
With water; dimedone at 20℃; Green chemistry;	90%

...Expand

: 769-42-6
1,3-dimethylbarbituric acid

: 3132-99-8
m-bromobenzoic aldehyde

: 109-89-7
diethylamine

: 1621511-01-0
5,5'-((3-bromophenyl)methylene)bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione) diethylaminium salt

Conditions

Conditions	Yield
In water at 20℃; Inert atmosphere;	100%
With water; dimedone at 20℃; Green chemistry;	92%

...Expand

: 769-42-6
1,3-dimethylbarbituric acid

: 123-08-0
4-hydroxy-benzaldehyde

: 109-89-7
diethylamine

: 1621511-03-2
5,5'-((4-hydroxyphenyl)methylene)bis(6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione) diethylaminium salt

Conditions

Conditions	Yield
In water at 20℃; Inert atmosphere;	100%
With water; dimedone at 20℃; Green chemistry;	88%

...Expand

: 769-42-6
1,3-dimethylbarbituric acid

: 109-89-7
diethylamine

: 620-23-5
m-tolyl aldehyde

: 1621511-05-4
5,5'-(3-tolylmethylene)bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione) diethylaminium salt

Conditions

Conditions	Yield
In water at 20℃; Inert atmosphere;	100%
With water; dimedone at 20℃; Green chemistry;	97%

...Expand

: 769-42-6
1,3-dimethylbarbituric acid

: 66-99-9
β-naphthaldehyde

: 109-89-7
diethylamine

: 1621511-07-6
5,5'-(naphthalen-2-ylmethylene)bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione) diethylaminium salt

Conditions

Conditions	Yield
In water at 20℃; Inert atmosphere;	100%
With water; dimedone at 20℃; Green chemistry;	94%

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: 769-42-6
1,3-dimethylbarbituric acid

: 623-27-8
terephthalaldehyde,

: 109-89-7
diethylamine

: 1621511-09-8
4-(bis(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)benzaldehyde diethylaminium salt

Conditions

Conditions	Yield
In water at 20℃; Inert atmosphere;	100%
With water; dimedone at 20℃; Green chemistry;	92%

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: 769-42-6
1,3-dimethylbarbituric acid

: 95239-02-4
C10H16N2O4

: di-tert-butyl 2,2’-[(1,3-dimethyl-2,4,6-trioxohexahydropyrimidine-5,5-diyl)bis(4-methoxy-4-oxobut-3-yl-2-ylidene)]bis(hydrazine-1-carboxylate)

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 3h; Michael Addition;	100%

: 769-42-6
1,3-dimethylbarbituric acid

: 123-11-5
4-methoxy-benzaldehyde

: 126-81-8
dimedone

: 109-89-7
diethylamine

: C22H26N2O6*C4H11N

Conditions

Conditions	Yield
In water at 20℃; Inert atmosphere;	100%

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: 769-42-6
1,3-dimethylbarbituric acid

: 3132-99-8
m-bromobenzoic aldehyde

: 126-81-8
dimedone

: 109-89-7
diethylamine

: C21H23BrN2O5*C4H11N

Conditions

Conditions	Yield
In water at 20℃; Inert atmosphere;	100%

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: 769-42-6
1,3-dimethylbarbituric acid

: 123-08-0
4-hydroxy-benzaldehyde

: 126-81-8
dimedone

: 109-89-7
diethylamine

: C21H24N2O6*C4H11N

Conditions

Conditions	Yield
In water at 20℃; Inert atmosphere;	100%

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: 769-42-6
1,3-dimethylbarbituric acid

: 104-87-0
4-methyl-benzaldehyde

: 126-81-8
dimedone

: 109-89-7
diethylamine

: C22H26N2O5*C4H11N

Conditions

Conditions	Yield
In water at 20℃; Inert atmosphere;	100%

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1,3-Dimethylbarbituric acid Specification

The IUPAC name of 2,4,6(1H,3H,5H)-Pyrimidinetrione,1,3-dimethyl- is 1,3-dimethyl-1,3-diazinane-2,4,6-trione. With the CAS registry number 769-42-6, it is also named as Barbituric acid, 1,3-dimethyl-. The product's other registry numbers are 213833-88-6; 342615-73-0; 41949-07-9; 863970-57-4; 936361-69-2; 952003-94-0; 959586-34-6. Besides, it is yellow or brownish powder, which should be stored in tightly sealed container in a cool, dry place. In addition, its molecular formula is C₆H₈N₂O₃ and molecular weight is 156.14.

The other characteristics of this product can be summarized as: (1)EINECS: 212-211-7; (2)ACD/LogP: -2.21; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -2.27; (5)ACD/LogD (pH 7.4): -3.28; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1.31; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 5; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 0; (13)Polar Surface Area: 57.69 Å²; (14)Index of Refraction: 1.511; (15)Molar Refractivity: 35.38 cm³; (16)Molar Volume: 118 cm³; (17)Polarizability: 14.02×10^-24cm³; (18)Surface Tension: 46.8 dyne/cm; (19)Density: 1.322 g/cm³; (20)Flash Point: 95.3 °C; (21)Melting point: 121-123 °C; (22)Enthalpy of Vaporization: 46.47 kJ/mol; (23)Boiling Point: 228.1 °C at 760 mmHg; (24)Vapour Pressure: 0.0746 mmHg at 25 °C.

Preparation of 2,4,6(1H,3H,5H)-Pyrimidinetrione,1,3-dimethyl-: this chemical can be prepared by 1,3-Dimethyl-urea and Malonic acid.

The reaction needs Acetic acid anhydride.

Uses of 2,4,6(1H,3H,5H)-Pyrimidinetrione,1,3-dimethyl-: it can react with Furfural to get 5-Furfurylidene-1,3-dimethyl-barbituric acid.

This reaction needs Ethanol by heating for 1 hour. The yield is 94 %.

When you are using this chemical, please be cautious about it as the following: it is harmful if swallowed and risk of serious damage to the eyes. You should wear suitable protective clothing and eye / face protection.Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C1N(C(=O)CC(=O)N1C)C
(2)InChI: InChI=1/C6H8N2O3/c1-7-4(9)3-5(10)8(2)6(7)11/h3H2,1-2H3
(3)InChIKey: VVSASNKOFCZVES-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C6H8N2O3/c1-7-4(9)3-5(10)8(2)6(7)11/h3H2,1-2H3
(5)Std. InChIKey: VVSASNKOFCZVES-UHFFFAOYSA-N

Product Name

1,3-Dimethylbarbituric acid

Synthetic route

1,3-Dimethylbarbituric acid Specification

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