ChemicalBook--->CAS DataBase List--->5391-39-9

5391-39-9

5391-39-9 Structure

5391-39-9 Structure
IdentificationMore
[Name]

1-Acetyl-2-imidazolidinone
[CAS]

5391-39-9
[Synonyms]

1-ACETYL-1,3,4,5-TETRAHYDROIMIDAZOLE-2-ONE
1-ACETYL-2-IMIDAZOLIDINONE
1-ACETYL-IMIDAZOLIDIN-2-ONE
ACETYL IMIDAZO-2-ONE
n-acetyl-2-imidazolidinone
RARECHEM AQ NN 0041
1-Acetyl-2-Imidazolidone
1-acetylimidazolidine-2-thione
Acetyl Ethylene Urea
[EINECS(EC#)]

226-388-3
[Molecular Formula]

C5H8N2O2
[MDL Number]

MFCD07783646
[Molecular Weight]

128.13
[MOL File]

5391-39-9.mol
Chemical PropertiesBack Directory
[Melting point ]

173-175°C
[density ]

1.237
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Sparingly), DMSO (Sparingly), Methanol (Slightly, Heated)
[form ]

Solid
[pka]

12.11±0.20(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1S/C5H8N2O2/c1-4(8)7-3-2-6-5(7)9/h2-3H2,1H3,(H,6,9)
[InChIKey]

JJWACYUTERPMBM-UHFFFAOYSA-N
[SMILES]

C1(=O)N(C(C)=O)CCN1
[CAS DataBase Reference]

5391-39-9(CAS DataBase Reference)
Questions And AnswerBack Directory
[Uses]

1-Acetyl-2-imidazolidinone (Clonidine EP Impurity A) is a synthetic reagent used in the preparation of triple [14C]-labelled moxonidine which is an antihypertensive compound.
Safety DataBack Directory
[HS Code ]

2933.29.9000
Spectrum DetailBack Directory
[Spectrum Detail]

1-Acetyl-2-imidazolidinone(5391-39-9)1HNMR
Well-known Reagent Company Product InformationBack Directory
[TCI AMERICA]

1-Acetyl-2-imidazolidinone,>98.0%(GC)(5391-39-9)
Hazard InformationBack Directory
[Synthesis]

2-Imidazolidone

120-93-4

Acetic anhydride

108-24-7

1-Acetyl-2-imidazolidinone

5391-39-9

General procedure for the synthesis of 1-acetyl-2-imidazolidinone from 2-imidazolidinone and acetic anhydride: 5.18 g (60.2 mmol) of 2-imidazolidinone and 50 mL of acetic anhydride were added to a 100 mL round-bottom flask. The mixture was placed in an oil bath and the reaction was stirred at 150 °C for 1 hour. Upon completion of the reaction, the mixture was cooled to room temperature and filtered to collect the precipitated solid. The solid was washed with a small amount of cold ethanol to give a final 4.94 g (yield: 64.1%) of colorless solid 1-acetyl-2-imidazolidinone.

[References]

[1] Chemistry - A European Journal, 2002, vol. 8, # 11, p. 2464 - 2475
[2] Patent: JP2016/145198, 2016, A. Location in patent: Paragraph 0087-0089
[3] Arkivoc, 2014, vol. 2014, # 2, p. 44 - 56
[4] Journal of the American Chemical Society, 1958, vol. 80, p. 6409,6412
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