Methylurea supplier | CasNO.598-50-5

Name
Methylurea
EINECS 209-935-0
CAS No. 598-50-5
Article Data93
CAS DataBase
Density 1.041 g/cm³
Solubility 1000 g/L (20 ºC)
Melting Point ~93 °C
Formula C₂H₆N₂O
Boiling Point 114.6 °C at 760 mmHg
Molecular Weight 74.0824
Flash Point 23.1 °C
Transport Information
Appearance White, crystalline needles.
Safety 22-45-36/37
Risk Codes 68-37-20/21/22
Molecular Structure
Hazard Symbols Xn
Synonyms Urea,methyl- (6CI,8CI,9CI);1-Methylurea;Methylurea;Monomethylurea;N-Methylurea;
PSA 55.12000
LogP 0.37570

Synthetic route

: 624-83-9
methyl isocyanate

: 598-50-5
N-Methylurea

Conditions

Conditions	Yield
With ammonium hydroxide In water at 0 - 20℃; for 3.5h;	99%
With diethyl ether; ammonia
With ammonia at 45℃;

: 22013-97-4
N-methyl-thiocarbamic acid S-methyl ester

A: 74-93-1
methylthiol

B: 598-50-5
N-Methylurea

Conditions

Conditions	Yield
With ammonia In water at 65℃;	A n/a B 96%

: 22013-97-4
N-methyl-thiocarbamic acid S-methyl ester

: 598-50-5
N-Methylurea

Conditions

Conditions	Yield
With ammonium hydroxide In 1,4-dioxane	96%
With ammonium hydroxide In 1,4-dioxane at 65℃; for 3h;

: 590-28-3
potassium cyanate

: 593-51-1
methylamine hydrochloride

: 598-50-5
N-Methylurea

Conditions

Conditions	Yield
In water for 0.5h; Heating;	90%

: 1142408-78-3
1,5-dimethyl-3-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-e][1,2,4]triazin-6(5H)-one

A: 1142408-82-9
1-methyl-5,6-dioxo-3-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydro-1,2,4-triazine

B: 598-50-5
N-Methylurea

Conditions

Conditions	Yield
Stage #1: 1,5-dimethyl-3-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-e][1,2,4]triazin-6(5H)-one With ethanol; sodium hydroxide Reflux; Stage #2: With hydrogenchloride In ethanol; water pH=7; Cooling with ice;	A 89% B n/a

: 598-52-7
1-(methyl)-thiourea

: 598-50-5
N-Methylurea

Conditions

Conditions	Yield
With tetrabutylammonium periodite In dichloromethane; acetonitrile at 20℃; for 0.583333h;	88%
With sodium bromate at 25℃; Rate constant; Mechanism; various stoichiometry; also in the presence of acid;

: 1142408-77-2
1,5-dimethyl-3-p-tolyl-1H-imidazo[4,5-e][1,2,4]triazin-6(5H)-one

A: 1142408-80-7
1-methyl-5,6-dioxo-3-p-tolyl-1,4,5,6-tetrahydro-1,2,4-triazine

B: 598-50-5
N-Methylurea

Conditions

Conditions	Yield
Stage #1: 1,5-dimethyl-3-p-tolyl-1H-imidazo[4,5-e][1,2,4]triazin-6(5H)-one With ethanol; sodium hydroxide Reflux; Stage #2: With hydrogenchloride In ethanol; water pH=7; Cooling with ice;	A 87% B n/a

: 3-(4-bromophenyl)-1,5-dimethyl-1H-imidazo[4,5-e][1,2,4]triazin-6(5H)-one

A: 3-(4-bromophenyl)-1-methyl-5,6-dioxo-1,4,5,6-tetrahydro-1,2,4-triazine

B: 598-50-5
N-Methylurea

Conditions

Conditions	Yield
Stage #1: 3-(4-bromophenyl)-1,5-dimethyl-1H-imidazo[4,5-e][1,2,4]triazin-6(5H)-one With ethanol; sodium hydroxide Reflux; Stage #2: With hydrogenchloride In ethanol; water pH=7; Cooling with ice;	A 86% B n/a

: 61602-19-5
1,5-dimethyl-3-phenyl-1H-imidazo[4,5-e][1,2,4]triazin-6(5H)-one

A: 1-methyl-5,6-dioxo-3-phenyl-1,4,5,6-tetrahydro-1,2,4-triazine

B: 598-50-5
N-Methylurea

Conditions

Conditions	Yield
Stage #1: 1,5-dimethyl-3-phenyl-1H-imidazo[4,5-e][1,2,4]triazin-6(5H)-one With ethanol; sodium hydroxide Reflux; Stage #2: With hydrogenchloride In ethanol; water pH=7; Cooling with ice;	A 84% B 16 mg

: 1142408-75-0
3-(4-chlorophenyl)-1,5-dimethyl-1H-imidazo[4,5-e][1,2,4]triazin-6(5H)-one

A: 3-(4-chlorophenyl)-1-methyl-5,6-dioxo-1,4,5,6-tetrahydro-1,2,4-triazine

B: 598-50-5
N-Methylurea

Conditions

Conditions	Yield
Stage #1: 3-(4-chlorophenyl)-1,5-dimethyl-1H-imidazo[4,5-e][1,2,4]triazin-6(5H)-one With ethanol; sodium hydroxide Reflux; Stage #2: With hydrogenchloride In ethanol; water pH=7; Cooling with ice;	A 83% B 20 mg

: 61602-21-9
3-(4-methoxyphenyl)-1,5-dimethyl-1H-imidazo[4,5-e][1,2,4]triazin-6(5H)-one

A: 1142408-81-8
3-(4-methoxyphenyl)-1-methyl-5,6-dioxo-1,4,5,6-tetrahydro-1,2,4-triazine

B: 598-50-5
N-Methylurea

Conditions

Conditions	Yield
Stage #1: 3-(4-methoxyphenyl)-1,5-dimethyl-1H-imidazo[4,5-e][1,2,4]triazin-6(5H)-one With ethanol; sodium hydroxide Reflux; Stage #2: With hydrogenchloride In ethanol; water pH=7; Cooling with ice;	A 83% B n/a

: 590-28-3
potassium cyanate

: 74-89-5
methylamine

: 598-50-5
N-Methylurea

Conditions

Conditions	Yield
With hydrogenchloride In water at 20℃; for 5h; Inert atmosphere;	78%
With N,N,N',N'-tetramethylguanidinium acetate In water at 60℃; for 0.5h;

: 3-(3,4-dimethoxyphenyl)-1,5-dimethyl-1H-imidazo[4,5-e][1,2,4]triazin-6(5H)-one

A: 3-(3,4-dimethoxyphenyl)-1-methyl-5,6-dioxo-1,4,5,6-tetrahydro-1,2,4-triazine

B: 598-50-5
N-Methylurea

Conditions

Conditions	Yield
Stage #1: 3-(3,4-dimethoxyphenyl)-1,5-dimethyl-1H-imidazo[4,5-e][1,2,4]triazin-6(5H)-one With ethanol; sodium hydroxide Reflux; Stage #2: With hydrogenchloride In ethanol; water pH=7; Cooling with ice;	A 78% B n/a

: 1142408-76-1
3-(4-hydroxyphenyl)-1,5-dimethyl-1H-imidazo[4,5-e][1,2,4]triazin-6(5H)-one

A: 3-(4-hydroxyphenyl)-1-methyl-5,6-dioxo-1,4,5,6-tetrahydro-1,2,4-triazine

B: 598-50-5
N-Methylurea

Conditions

Conditions	Yield
Stage #1: 3-(4-hydroxyphenyl)-1,5-dimethyl-1H-imidazo[4,5-e][1,2,4]triazin-6(5H)-one With ethanol; sodium hydroxide Reflux; Stage #2: With hydrogenchloride In ethanol; water pH=7; Cooling with ice;	A 76% B n/a

: 1142408-74-9
3-(4-fluorophenyl)-1,5-dimethyl-1H-imidazo[4,5-e][1,2,4]triazin-6(5H)-one

A: 3-(4-fluorophenyl)-1-methyl-5,6-dioxo-1,4,5,6-tetrahydro-1,2,4-triazine

B: 598-50-5
N-Methylurea

Conditions

Conditions	Yield
Stage #1: 3-(4-fluorophenyl)-1,5-dimethyl-1H-imidazo[4,5-e][1,2,4]triazin-6(5H)-one With ethanol; sodium hydroxide Reflux; Stage #2: With hydrogenchloride In ethanol; water pH=7; Cooling with ice;	A 72% B n/a

: 123-75-1
pyrrolidine

: 17758-39-3
1-methyl-5-nitro-1H-pyrimidin-2-one

A: 3760-54-1
1-pyrrolidinecarboxaldehyde

B: C6H10N2O2

C: 598-50-5
N-Methylurea

Conditions

Conditions	Yield
In chloroform at 20℃; for 168h;	A 41 %Spectr. B 68% C 29 %Spectr.

...Expand

: 100422-34-2
theobromuric acid

A: 3659-97-0
1-methylparabanic acid

B: 100422-43-3
ω.ω'-Dimethyl-carbonyldiharnstoff

C: 144-62-7
oxalic acid

D: 598-50-5
N-Methylurea

Conditions

Conditions	Yield
With hydrogenchloride	A n/a B 50% C n/a D n/a

...Expand

: 115-38-8
mephobarbital

A: 50-12-4
mephenytoin

B: 598-50-5
N-Methylurea

Conditions

Conditions	Yield
With hydrogenchloride; sodium hydroxide; Carbonate buffer In ethanol at 35℃; Irradiation;	A 41.5% B n/a

: 1142408-71-6
1,3,5-trimethyl-1H-imidazo[4,5-e][1,2,4]triazin-6(5H)-one

A: 1,3-dimethyl-5,6-dioxo-1,4,5,6-tetrahydro-1,2,4-triazine

B: 598-50-5
N-Methylurea

Conditions

Conditions	Yield
Stage #1: 1,3,5-trimethyl-1H-imidazo[4,5-e][1,2,4]triazin-6(5H)-one With ethanol; sodium hydroxide Reflux; Stage #2: With hydrogenchloride In ethanol; water pH=7; Cooling with ice;	A 41% B n/a

: 106284-73-5
1,5-dimethyl-1H-imidazo[4,5-e][1,2,4]triazin-6(5H)-one

A: 1-methyl-5,6-dioxo-1,4,5,6-tetrahydro-1,2,4-triazine

B: 598-50-5
N-Methylurea

Conditions

Conditions	Yield
Stage #1: 1,5-dimethyl-1H-imidazo[4,5-e][1,2,4]triazin-6(5H)-one With ethanol; sodium hydroxide Reflux; Stage #2: With hydrogenchloride In ethanol; water pH=7; Cooling with ice;	A 36% B n/a

: 60782-14-1, 60782-15-2
(4S,6S)-5,5-Diallyl-4,6-dihydroxy-1-methyl-tetrahydro-pyrimidin-2-one

A: 2,2-Diallyl-1,3-propanediol

B: 78959-59-8
2,2-Diallyl-3-(3-methylureido)-1-propanol

C: 598-50-5
N-Methylurea

Conditions

Conditions	Yield
With sodium tetrahydroborate In 1,4-dioxane; water for 4h;	A n/a B 25% C n/a

...Expand

: 3659-97-0
1-methylparabanic acid

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

A: 144-62-7
oxalic acid

B: 598-50-5
N-Methylurea

...Expand

: 3659-97-0
1-methylparabanic acid

A: 144-62-7
oxalic acid

B: 598-50-5
N-Methylurea

Conditions

Conditions	Yield
With alkali
With barytes
With water

: 861346-33-0
1-methyl-2,5-dioxo-imidazolidine-4-carboxylic acid methylamide

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

A: 144-62-7
oxalic acid

B: 74-89-5
methylamine

C: 598-50-5
N-Methylurea

...Expand

: 83-67-0
theobromine /

A: 2757-83-7
1-methylalloxan

B: 598-50-5
N-Methylurea

: 623-59-6
N-acetyl-N'-methylurea

: 598-50-5
N-Methylurea

Conditions

Conditions	Yield
With nitric acid Erhitzen zum Sieden;
With potassium hydroxide at 25℃; Rate constant;

: 26891-98-5
(Methylcarbamoyl)azid

: 598-50-5
N-Methylurea

Conditions

Conditions	Yield
With ammonia

: 58-08-2
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

A: 2757-85-9
1,3-dimethylalloxan

B: 598-50-5
N-Methylurea

Conditions

Conditions	Yield
With chloramine-B In hydrogenchloride at 29.9℃; Kinetics; Mechanism; Thermodynamic data; it was investigated the effect of concentration of reactants, ionic strength, temperature.;
With hydrogenchloride; potassium chlorate at 50℃;
With hydrogenchloride; N-bromo-p-toluenesulfonamide at 14.85℃; Kinetics; Further Variations:; pH-values; Reagents; Solvents; Temperatures; Oxidation;
With hydrogenchloride; sodium perchlorate; bromamine B at 14.85℃; Kinetics; Oxidation;

: 5415-44-1
1,3,7-trimethyluric acid

: 598-50-5
N-Methylurea

Conditions

Conditions	Yield
With carbon dioxide; water; lead dioxide

: 100-52-7
benzaldehyde

: 598-50-5
N-Methylurea

: 40848-83-7
1,1-(phenylmethylene)bis(3-methylurea)

Conditions

Conditions	Yield
In acetonitrile at 20℃; for 5h;	100%
With hydrogenchloride; ethanol
With toluene-4-sulfonic acid In toluene for 3h; Condensation; Heating;
In acetonitrile at 20℃; for 1.5h;

: 610-94-6
2-bromobenzoic acid methyl ester

: 598-50-5
N-Methylurea

: 607-19-2
3-methyl-2,4(1H,3H)-quinazolinedione

Conditions

Conditions	Yield
With tris(dibenzylideneacetone)dipalladium (0); caesium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In 1,4-dioxane at 100℃; for 48h;	99%
With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In 1,4-dioxane at 100℃; for 24h;	61%

: 105-56-6
ethyl 2-cyanoacetate

: 598-50-5
N-Methylurea

: 2434-53-9
6-amino-1-methyluracil

Conditions

Conditions	Yield
Stage #1: N-Methylurea With sodium ethanolate In ethanol at 20℃; Reflux; Stage #2: ethyl 2-cyanoacetate In ethanol for 5h; Reagent/catalyst; Solvent;	98.2%
With sodium ethanolate In ethanol for 6h; Heating;	95%
Stage #1: ethyl 2-cyanoacetate With sodium ethanolate at 20℃; for 0.333333h; Stage #2: N-Methylurea for 3h; Reflux; Stage #3: With sulfuric acid In water for 2h; pH=7;	95%

: 108-59-8
malonic acid dimethyl ester

: 598-50-5
N-Methylurea

: 1-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione sodium salt

Conditions

Conditions	Yield
With sodium methylate In methanol at 66℃; for 24h; Solvent; Reagent/catalyst; Temperature;	98.1%
With sodium hydroxide In propan-1-ol for 8h; Reflux;	91.2%

: 141-97-9
ethyl acetoacetate

: 100-52-7
benzaldehyde

: 598-50-5
N-Methylurea

: 123044-27-9, 50628-42-7
ethyl 1,6-dimethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Conditions

Conditions	Yield
With brominated Amberlyst 15 In acetonitrile for 1h; Biginelli Pyrimidone Synthesis; Reflux;	98%
With polyphosphate ester In tetrahydrofuran for 15h; Heating;	95%
With myo-inositol 1,2,3,4,5,6-hexakisphosphate In neat (no solvent) at 100℃; for 0.6h; Biginelli Pyrimidone Synthesis; Green chemistry;	94%

...Expand

: 134-81-6
benzil

: 598-50-5
N-Methylurea

: 4224-00-4
3-methyl-5,5-diphenyl-imidazolidine-2,4-dione

Conditions

Conditions	Yield
With chitosan decorated Fe3O4 magnetic nanoparticles In ethanol; water at 60℃; for 0.125h; Green chemistry;	98%
at 145℃;
With potassium hydroxide
at 145℃;

: 302-17-0
chloral hydrate

: 598-50-5
N-Methylurea

: 1954-79-6
N-methyl-N'-(2,2,2-trichloro-1-hydroxyethyl)urea

Conditions

Conditions	Yield
In water for 48h; Substitution;	97%
With water

: 6498-10-8
carbonyl diisocyanate

: 598-50-5
N-Methylurea

: 1-(4,6-Dioxo-5,6-dihydro-4H-[1,3,5]oxadiazin-2-yl)-3-methyl-urea

Conditions

Conditions	Yield
In tetrahydrofuran at 22℃; for 2h;	97%

: 102-01-2
N-phenylacetoacetamide

: 591-31-1
3-methoxy-benzaldehyde

: 598-50-5
N-Methylurea

: 1255416-25-1
4-(3-methoxyphenyl)-1,6-dimethyl-5-(N-phenylcarboxamido)-2-oxo-1,2,3,4-tetrahydropyrimidine

Conditions

Conditions	Yield
With chloroacetic acid at 90℃; Biginelli reaction; Neat (no solvent);	97%
at 120 - 150℃;	62%

...Expand

: 1226-42-2
1,2-bis(4-methoxyphenyl)-1,2-ethanedione

: 598-50-5
N-Methylurea

: 66242-67-9
5,5-bis-(4-methoxy-phenyl)-3-methyl-imidazolidine-2,4-dione

Conditions

Conditions	Yield
With chitosan decorated Fe3O4 magnetic nanoparticles In ethanol; water at 60℃; for 0.133333h; Green chemistry;	97%

: 596-75-8
diethyl dibutylmalonate

: 598-50-5
N-Methylurea

: C13H22N2O3

Conditions

Conditions	Yield
Stage #1: N-Methylurea With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 3h; Inert atmosphere; Stage #2: diethyl dibutylmalonate In N,N-dimethyl-formamide; mineral oil at 0 - 60℃; Inert atmosphere;	97%

: 99-61-6
3-nitro-benzaldehyde

: 135-19-3
β-naphthol

: 598-50-5
N-Methylurea

: [(3-nitrophenyl)(2-hydroxynaphthalen-1-yl)methyl]-3-methylurea

Conditions

Conditions	Yield
With silica gel-supported polyphosphoric acid at 120℃; for 0.0833333h;	96%
With Indion-130 resin at 110℃; for 0.1h;	94%
With sulfanilic acid functionalized silica coated Fe3O4 nanoparticles In neat (no solvent) at 120℃; for 0.166667h; Green chemistry;	94%

...Expand

: 1-[2-(acetoacetyloxy)ethyl]-3-methylimidazolium hexafluorophosphate

: 104-88-1
4-chlorobenzaldehyde

: 598-50-5
N-Methylurea

: 1-{2-[4-(4-chlorophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidin-5-ylcarbonyloxy]ethyl}-3-methylimidazolium hexafluorophosphate

Conditions

Conditions	Yield
With hydrogenchloride at 100℃; for 1h; Biginelli condensation;	96%
With hydrogenchloride at 100℃; for 1h; Biginelli condensation;	96%

...Expand

: 100-52-7
benzaldehyde

: 105-45-3
acetoacetic acid methyl ester

: 598-50-5
N-Methylurea

: 302932-49-6
methyl 1,6-dimethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Conditions

Conditions	Yield
With myo-inositol 1,2,3,4,5,6-hexakisphosphate In neat (no solvent) at 100℃; for 0.5h; Biginelli Pyrimidone Synthesis; Green chemistry;	96%
With toluene-4-sulfonic acid In methanol for 16h; Reflux; Inert atmosphere;	90%
With cerous p-toluenesulfonate tetrahydrate at 80℃; for 0.0833333h; Green chemistry;	88%
With yttrium (III) acetate hydrate; acetic acid at 115℃; for 4.5h; Biginelli reaction;	86%
With toluene-4-sulfonic acid In ethanol Reflux; Inert atmosphere;

...Expand

: 105-45-3
acetoacetic acid methyl ester

: 6630-33-7
ortho-bromobenzaldehyde

: 598-50-5
N-Methylurea

: 923235-54-5
5-methoxycarbonyl-1,6-dimethyl-4-(2-bromophenyl)-3,4-dihydropyrimidin-2(1H)-one

Conditions

Conditions	Yield
With yttrium (III) acetate hydrate; acetic acid at 115℃; for 4.5h; Biginelli reaction;	96%

...Expand

: 108-24-7
acetic anhydride

: 118-92-3
anthranilic acid

: 598-50-5
N-Methylurea

: 1377584-86-5
N,2-dimethyl-4-oxoquinazoline-3(4H)-carboxamide

Conditions

Conditions	Yield
With titanium dioxide nanoparticles at 80℃; for 10h; Neat (no solvent);	96%

...Expand

: 55114-30-2
2-benzyl-2-methylmalonic acid diethyl ester

: 598-50-5
N-Methylurea

: 5-benzyl-1,5-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione

Conditions

Conditions	Yield
Stage #1: N-Methylurea With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.166667h; Inert atmosphere; Stage #2: 2-benzyl-2-methylmalonic acid diethyl ester In N,N-dimethyl-formamide at 0 - 20℃; for 18h;	96%

: 23328-88-3
2-bromo-5-methyl-1H imidazole

: 598-50-5
N-Methylurea

: C6H7BrN4O2

Conditions

Conditions	Yield
With tert.-butylhydroperoxide In acetonitrile at 70℃; for 8h; Temperature; Solvent;	96%

: 1076-38-6
4-hydroxy[1]benzopyran-2-one

: 122-51-0
orthoformic acid triethyl ester

: 598-50-5
N-Methylurea

: 134297-75-9
3-methylureidomethylene-4-oxo-coumarin

Conditions

Conditions	Yield
In isopropyl alcohol for 2h; Heating;	95%

...Expand

: 10230-68-9
1-nitro-2-propanone

: 86-81-7
3,4,5-trimethoxy-benzaldehyde

: 598-50-5
N-Methylurea

: 1,6-Dimethyl-5-nitro-4-(3,4,5-trimethoxy-phenyl)-3,4-dihydro-1H-pyrimidin-2-one

Conditions

Conditions	Yield
With hydrogenchloride In ethanol for 6h; Heating;	95%

...Expand

: 104-88-1
4-chlorobenzaldehyde

: 135-19-3
β-naphthol

: 598-50-5
N-Methylurea

: 1-[(4-chloro-phenyl)-(2-hydroxy-naphthalen-1-yl)-methyl]-3-methyl-urea

Conditions

Conditions	Yield
toluene-4-sulfonic acid at 125℃; for 5h;	95%
With Indion-130 resin at 110℃; for 0.166667h;	91%
With silica gel-supported polyphosphoric acid at 120℃; for 0.133333h;	86%
With barium phosphate In neat (no solvent) at 100℃; for 0.25h;	77%

...Expand

: 100-52-7
benzaldehyde

: 135-19-3
β-naphthol

: 598-50-5
N-Methylurea

: 1-[(2-hydroxy-naphthalen-1-yl)-phenyl-methyl]-3-methyl-urea

Conditions

Conditions	Yield
With silica gel-supported polyphosphoric acid at 120℃; for 0.0666667h;	95%
With sulfanilic acid functionalized silica coated Fe3O4 nanoparticles In neat (no solvent) at 120℃; for 0.2h; Green chemistry;	92%
With Indion-130 resin at 110℃; for 0.2h;	90%
toluene-4-sulfonic acid at 125℃; for 6h;	89%
With barium phosphate In neat (no solvent) at 100℃; for 0.333333h;	82%

...Expand

: 731857-74-2
C15H5F17O4S

: 105-45-3
acetoacetic acid methyl ester

: 598-50-5
N-Methylurea

: 1350738-43-0
C22H15F17N2O6S

Conditions

Conditions	Yield
With ytterbium(III) triflate In acetonitrile at 120℃; for 0.333333h; Biginelli reaction; Microwave irradiation;	95%

...Expand

: 141-97-9
ethyl acetoacetate

: 873-76-7
para-Chlorobenzyl alcohol

: 598-50-5
N-Methylurea

: 302821-62-1
ethyl 4-(4-chlorophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Conditions

Conditions	Yield
Stage #1: para-Chlorobenzyl alcohol With Oxone; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; potassium bromide In neat (no solvent) for 0.5h; Biginelli Pyrimidone Synthesis; Milling; Green chemistry; Stage #2: ethyl acetoacetate; N-Methylurea In neat (no solvent) for 3.5h; Biginelli Pyrimidone Synthesis; Milling; Green chemistry; regioselective reaction;	95%

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: 4-methoxy-4-phenyl-1,1,1-trifluorobut-3-en-2-one

: 598-50-5
N-Methylurea

: 6-phenyl-4-(trifluoromethyl)-1-methylpyrimidin-2(1H)-one

Conditions

Conditions	Yield
With hydrogenchloride In methanol for 20h; Reflux; regioselective reaction;	95%

: 123-08-0
4-hydroxy-benzaldehyde

: 105-45-3
acetoacetic acid methyl ester

: 598-50-5
N-Methylurea

: 5-methoxycarbonyl-1,6-dimethyl-4-(4-hydroxyphenyl)-3,4-dihydropyrimidin-2(1H)-one

Conditions

Conditions	Yield
With cerous p-toluenesulfonate tetrahydrate at 80℃; for 0.166667h; Green chemistry;	95%

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: 94-02-0
ethyl 3-oxo-3-phenylpropionate

: 100-83-4
meta-hydroxybenzaldehyde

: 598-50-5
N-Methylurea

: 5-ethoxycarbonyl-1-methyl-6-phenyl-4-(3-hydroxyphenyl)-3,4-dihydropyrimidin-2(1H)-one

Conditions

Conditions	Yield
With cerium(III) p-toluenesulfonate tetrahydrate In neat (no solvent) at 80℃; for 1.7h; Biginelli Pyrimidone Synthesis; Green chemistry;	95%

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Methylurea Consensus Reports

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Methylurea Specification

The CAS registry number of N-Methylurea is 598-50-5. The IUPAC name is methylurea. Its EINECS registry number is 209-935-0 . In addition, the molecular formula is C₂H₆N₂O and the molecular weight is 74.08. It is a kind of white to off-white crystalline solid and belongs to the classes of Carbonyl Compounds; Organic Building Blocks; Ureas.

Physical properties about this chemical are: (1)ACD/LogP: -1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.23; (4)ACD/LogD (pH 7.4): -1.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.12; (8)ACD/KOC (pH 7.4): 5.12; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.55 Å²; (13)Index of Refraction: 1.432; (14)Molar Refractivity: 18.47 cm³; (15)Molar Volume: 71.1 cm³; (16)Polarizability: 7.32 ×10^-24cm³; (17)Surface Tension: 35.5 dyne/cm; (18)Density: 1.041 g/cm³; (19)Flash Point: 23.1 °C; (20)Enthalpy of Vaporization: 35.3 kJ/mol; (21)Boiling Point: 114.6 °C at 760 mmHg ; (22)Vapour Pressure: 19.8 mmHg at 25°C.

Uses of N-Methylurea: it can be used in organic synthesis and pharmaceutical industry. And it can react with diethylmalonic acid diethyl ester to get 5,5-diethyl-1-methyl-pyrimidine-2,4,6-trione. This reaction will need reagents Na and EtOH. The reaction time is 4 hours at reaction temperature of 115 °C. The yield is about 68%.

N-Methylurea can react with diethylmalonic acid diethyl ester to get 5,5-diethyl-1-methyl-pyrimidine-2,4,6-trione

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. And it is irritating to the respiratory system. It has risk of irreversible effects possibly. During using it, wear suitable protective clothing and gloves and do not breathe dust. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)NC
(2)InChI: InChI=1/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)
(3)InChIKey: XGEGHDBEHXKFPX-UHFFFAOYAA

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	parenteral	10189mg/kg (10189mg/kg)	BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Journal of Pharmacology and Experimental Therapeutics. Vol. 52, Pg. 216, 1934.
rat	LD50	intraperitoneal	> 2gm/kg (2000mg/kg)		Naunyn-Schmiedebergs Archiv fuer Pharmakologie und Experimentelle Pathologie. Vol. 257, Pg. 296, 1967.
rat	LDLo	oral	500mg/kg (500mg/kg)		National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 47, 1953.

Product Name

Methylurea

Synthetic route

Methylurea Consensus Reports

Methylurea Specification

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