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2,4-Imidazolidinedione, 3-methyl-
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Name

2,4-Imidazolidinedione, 3-methyl-

 EINECS N/A
CAS No. 6843-45-4 Density 1.285 g/cm3
PSA 49.41000 LogP -0.56530
Solubility N/A Melting Point N/A
Formula C4H6N2O2 Boiling Point N/A
Molecular Weight 114.104 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6843-45-4 (2,4-Imidazolidinedione, 3-methyl-) Hazard Symbols N/A
Synonyms

Hydantoin,3-methyl- (6CI,7CI,8CI);3-Methylhydantoin;3-Methylimidazolidine-2,4-dione;

Article Data 39

2,4-Imidazolidinedione, 3-methyl- Synthetic route

7150-62-1

ethyl (methylcarbamoyl)glycinate

6843-45-4

1-methylhydantoin

Conditions
ConditionsYield
With sodium methylate In methanol85%
With hydrogenchloride In ethanol Heating; Yield given;
With sodium hydroxide In water Rate constant; Mechanism; other solvent, other base;
In methanol; water at 25℃; Rate constant; Mechanism; borax buffer (pH = 9.06, ionic strength 0.1), spectrophotometric measured;
94790-27-9

methyl {(methylcarbamoyl)amino}acetate

6843-45-4

1-methylhydantoin

Conditions
ConditionsYield
With sodium methylate In methanol85%
With sodium hydroxide In water Rate constant; Mechanism; other solvent, other base;
461-72-3

2,4-imidazolidinedione

18871-66-4

N,N-dimethylacetamide dimethyl acetal

6843-45-4

1-methylhydantoin

Conditions
ConditionsYield
In toluene Heating;73%
In toluene for 2h; Reflux;68%
In toluene for 3h; Heating;62%
In toluene at 110℃; for 2h;50%
In toluene at 110℃; for 2h;
461-72-3

2,4-imidazolidinedione

77-78-1

dimethyl sulfate

6843-45-4

1-methylhydantoin

Conditions
ConditionsYield
With sodium hydroxide Heating;55%
With sodium hydroxide Behandeln mit Salzsaeure unter vermindertem Druck;
131543-46-9

Glyoxal

598-50-5

N-Methylurea

A

616-04-6

1-methyldiazolidine-2,4-dione

B

6843-45-4

1-methylhydantoin

Conditions
ConditionsYield
With 1-hydroxyethylene-(1,1-diphosphonic acid) In water at 90℃; for 2h; Green chemistry;A 55%
B 25%
Stage #1: Glyoxal With phosphorus pentoxide; water at 20℃; for 0.0833333h;
Stage #2: N-Methylurea at 20℃; for 0.166667h;		A 45%
B 20%
71886-23-2

4-hydroxy-1-methyl-2,5-dioxo-4-imidazolidinecarboxyureide

6843-45-4

1-methylhydantoin

Conditions
ConditionsYield
With hydrogen iodide52%
461-72-3

2,4-imidazolidinedione

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

77-78-1

dimethyl sulfate

6843-45-4

1-methylhydantoin

Conditions
ConditionsYield
Behandeln mit Salzsaeure unter vermindertem Druck;
461-72-3

2,4-imidazolidinedione

74-88-4

methyl iodide

6843-45-4

1-methylhydantoin

Conditions
ConditionsYield
With potassium hydroxide
With potassium tert-butylate In N,N-dimethyl-formamide at 20℃; for 24h; Cooling with ice;1.01 g

1-methyl-2,5-dioxo-imidazolidine-4-carboxylic acid

6843-45-4

1-methylhydantoin

Conditions
ConditionsYield
at 190℃;
556-61-6

methyl thioisocyanate

56-40-6

glycine

6843-45-4

1-methylhydantoin

Conditions
ConditionsYield
With potassium hydroxide Behandeln des Reaktionsprodukts mit Quecksilberoxyd anschliessend mit Salzsaeure;

2,4-Imidazolidinedione, 3-methyl- Specification

The IUPAC name of 2,4-Imidazolidinedione, 3-methyl- is 3-methylimidazolidine-2,4-dione. With the CAS registry number 6843-45-4, it is also named as 3-Methylimidazolidine-2,4-dione. In addition, its molecular formula is C4H6N2O2 and molecular weight is 114.1026.

The other characteristics of 2,4-Imidazolidinedione, 3-methyl- can be summarized as: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 9.585; (5)ACD/KOC (pH 7.4): 9.184; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 0; (9)XLogP3-AA: -0.9; (10)Rotatable Bond Count: 0; (11)Tautomer Count: 4; (12)Exact Mass: 114.042927; (13)MonoIsotopic Mass: 114.042927; (14)Topological Polar Surface Area: 49.4; (15)Heavy Atom Count: 8; (16)Complexity: 143; (17)Polar Surface Area: 49.41 Å2; (18)Index of Refraction: 1.491; (19)Molar Refractivity: 25.719 cm3; (20)Molar Volume: 88.799 cm3; (21)Polarizability: 10.196×10-24cm3; (22)Surface Tension: 41.558 dyne/cm; (23)Density: 1.285 g/cm3.

People can use the following data to convert to the molecule structure.
(1)SMILES: CN1C(=O)CNC1=O
(2)InChI: InChI=1/C4H6N2O2/c1-6-3(7)2-5-4(6)8/h2H2,1H3,(H,5,8)
(3)InChIKey: MZQQHYDUINOMDG-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C4H6N2O2/c1-6-3(7)2-5-4(6)8/h2H2,1H3,(H,5,8)
(5)Std. InChIKey: MZQQHYDUINOMDG-UHFFFAOYSA-N

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