ChemicalBook--->CAS DataBase List--->106157-82-8

106157-82-8

106157-82-8 Structure

106157-82-8 Structure
IdentificationBack Directory
[Name]

Ethanone,1-(2-amino-4-pyrimidinyl)-
[CAS]

106157-82-8
[Synonyms]

2-AMino-4-acetylpyriMidine
4-Acetyl-2-aminopyrimidine
1-(2-amino-4-pyrimidinyl)Ethanone
Ethanone,1-(2-amino-4-pyrimidinyl)-
1-(2-aminopyrimidin-4-yl)ethan-1-one
Ethanone, 1-(2-amino-4-pyrimidinyl)- (9CI)
[Molecular Formula]

C6H7N3O
[MDL Number]

MFCD09263814
[MOL File]

106157-82-8.mol
[Molecular Weight]

137.14
Chemical PropertiesBack Directory
[Melting point ]

148-149 °C(Solv: ethanol (64-17-5))
[Boiling point ]

351.3±34.0 °C(Predicted)
[density ]

1.250±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[pka]

1.70±0.10(Predicted)
[Appearance]

Off-white to light brown Solid
[InChI]

InChI=1S/C6H7N3O/c1-4(10)5-2-3-8-6(7)9-5/h2-3H,1H3,(H2,7,8,9)
[InChIKey]

XDKSEDDZHXZRKQ-UHFFFAOYSA-N
[SMILES]

C(=O)(C1C=CN=C(N)N=1)C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

Ethanone,1-(2-amino-4-pyrimidinyl)-(106157-82-8)1HNMR
Hazard InformationBack Directory
[Synthesis]

4-(1,1-Dimethoxyethyl)pyrimidin-2-amine

106157-85-1

Ethanone,1-(2-amino-4-pyrimidinyl)-

106157-82-8

Using 4-(1,1-dimethoxyethyl)pyrimidin-2-amine (17.5 g, 95.5 mmol) as starting material, it was dissolved in formic acid and the reaction was stirred for 6 hours at room temperature. After completion of the reaction, the reaction solution was concentrated to dryness. The resulting residue was dissolved in ethanol (50 mL), stirred and filtered to obtain 1-(2-aminopyrimidin-4-yl)ethanone (9.2 g, 70% yield).

[References]

[1] Journal of Heterocyclic Chemistry, 1985, vol. 22, p. 1723 - 1726
[2] Patent: US2007/142415, 2007, A1. Location in patent: Page/Page column 17
[3] Patent: WO2005/14572, 2005, A1. Location in patent: Page/Page column 24; 25
[4] Patent: US2007/142414, 2007, A1. Location in patent: Page/Page column 19
[5] Patent: WO2007/96334, 2007, A1. Location in patent: Page/Page column 32-33
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