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41371-53-3

41371-53-3 Structure

41371-53-3 Structure
IdentificationBack Directory
[Name]

2-IMIDAZOLIDONE-4-CARBOXYLIC ACID
[CAS]

41371-53-3
[Synonyms]

2-IMIDAZOLIDONE-4-CARBOXYLIC ACID
2-imidazolidine-4-carboxylic acid
l-2-imidazolidone-4-carboxylicacid
2-OXOIMIDAZOLIDINE-4-CARBOXYLIC ACID
2-Imidazolidone-4-carboxylic acid 95%
2-OXO-4-IMIDAZOLIDINE-CARBOXYLIC ACID
(S)-2-oxoiMidazolidine-4-carboxylic acid
[Molecular Formula]

C4H6N2O3
[MDL Number]

MFCD00005258
[MOL File]

41371-53-3.mol
[Molecular Weight]

130.1
Chemical PropertiesBack Directory
[Melting point ]

184-186 °C (dec.)(lit.)
[Boiling point ]

570.8±43.0 °C(Predicted)
[density ]

1.453±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

solid
[pka]

3.98±0.20(Predicted)
[Appearance]

White to off-white Solid
[InChI]

1S/C4H6N2O3/c7-3(8)2-1-5-4(9)6-2/h2H,1H2,(H,7,8)(H2,5,6,9)
[InChIKey]

KZKRPYCBSZIQKN-UHFFFAOYSA-N
[SMILES]

OC(=O)C1CNC(=O)N1
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

(4S)-2-oxoimidazolidine-4-carboxylic Acid is an intermediate used in the synthesis of human BACE-1 inhibitors with cyclic urea structure. It is also used to prepare thiophene-3-carboxamides as kinase inhibitors.
[Uses]

Reactant for synthesis of human BACE-1 inhibitors

Additive for crystal nucleation and growth
Spectrum DetailBack Directory
[Spectrum Detail]

2-IMIDAZOLIDONE-4-CARBOXYLIC ACID(41371-53-3)1HNMR
2-IMIDAZOLIDONE-4-CARBOXYLIC ACID(41371-53-3)FT-IR
2-IMIDAZOLIDONE-4-CARBOXYLIC ACID(41371-53-3)Raman
2-IMIDAZOLIDONE-4-CARBOXYLIC ACID(41371-53-3)IR
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