CAS No.6843-45-4,2,4-Imidazolidinedione, 3-methyl- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6843-45-4
Name:	2,4-Imidazolidinedione, 3-methyl-
Article Data:	39

Formula:	C₄H₆N₂O₂
Molecular Weight:	114.104
Synonyms:	Hydantoin,3-methyl- (6CI,7CI,8CI);3-Methylhydantoin;3-Methylimidazolidine-2,4-dione;
Density:	1.285 g/cm³
PSA:	49.41000
LogP:	-0.56530

Synthetic route

: 7150-62-1
ethyl (methylcarbamoyl)glycinate

: 6843-45-4
1-methylhydantoin

Conditions

Conditions	Yield
With sodium methylate In methanol	85%
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

Conditions	Yield
With sodium methylate In methanol	85%
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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%

...Expand

: 71886-23-2
4-hydroxy-1-methyl-2,5-dioxo-4-imidazolidinecarboxyureide

: 6843-45-4
1-methylhydantoin

Conditions

Conditions	Yield
With hydrogen iodide	52%

: 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

Conditions	Yield
Behandeln mit Salzsaeure unter vermindertem Druck;

...Expand

: 461-72-3
2,4-imidazolidinedione

: 74-88-4
methyl iodide

: 6843-45-4
1-methylhydantoin

Conditions

Conditions	Yield
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

Conditions	Yield
at 190℃;

: 556-61-6
methyl thioisocyanate

: 56-40-6
glycine

: 6843-45-4
1-methylhydantoin

Conditions

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

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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