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189956-45-4

189956-45-4 Structure

189956-45-4 Structure
IdentificationBack Directory
[Name]

4-N[2(4-HYDROXYPYRIMIDINYL)]AMINOBENZONITRILE
[CAS]

189956-45-4
[Synonyms]

Rilpivirine Lactam Impurity
4-((4-Oxo-1,4-dihydropyrimidin-2-yl)
4-N[2(4-HYDROXYPYRIMIDINYL)]AMINOBENZONITRILE
4-[(4-Hydroxy-pyrimidin-2-yl)amino]-benzonitr
4-[(4-Hydroxy-2-pyrimidinyl)amino]benzonitrile
4-[(6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile
4-(6-Oxo-1,6-dihydropyrimidin-2-ylamino)benzonitrile
4-((4-Oxo-1,4-dihydropyriMidin-2-yl)aMino)benzonitrile
4-[(1,4-Dihydro-4-oxo-2-pyrimidinyl)amino]benzonitrile
Benzonitrile, 4-[(1,4-dihydro-4-oxo-2-pyriMidinyl)aMino]-
4-((4-Oxo-1,4-dihydropyriMidin-2-yl)aMino)benzonitrile ISO 9001:2015 REACH
4-[(4-hydroxy-2-pyrimidinyl)amino]benzonitrile HCLQ: What is 4-[(4-hydroxy-2-pyrimidinyl)amino]benzonitrile HCL Q: What is the CAS Number of 4-[(4-hydroxy-2-pyrimidinyl)amino]benzonitrile HCL Q: What is the storage condition of 4-[(4-hydroxy-2-pyrimidinyl)amino]benzonitrile HCL Q: What are the applications of 4-[(4-hydroxy-2-pyrimidinyl)amino]benzonitrile HCL
[EINECS(EC#)]

606-195-4
[Molecular Formula]

C11H8N4O
[MDL Number]

MFCD08443716
[MOL File]

189956-45-4.mol
[Molecular Weight]

212.21
Questions And AnswerBack Directory
[Synthesis]

Weigh 3 g (21 mmol) of 2-(methylthio)pyrimidin-4(3H)-one and 2.99 g (25 mmol) of 4-aminobenzonitrile into a 50 mL round-bottom flask. Under nitrogen protection, slowly heat to 180 °C and react for 8 h. After cooling, add 20 mL of acetonitrile and sonicate. Filter, wash the filter cake with acetonitrile, and TLC analysis showed no 4-aminobenzonitrile residue. Dry the filter cake to obtain a pale yellow solid, which is 4-((4-Oxo-1,4-dihydropyriMidin-2-yl)aMino)benzonitrile, with a yield of 73.6%.

Synthetic route of 4-((4-Oxo-1,4-dihydropyriMidin-2-yl)aMino)benzonitrile

Chemical PropertiesBack Directory
[Melting point ]

>300°C
[density ]

1.31±0.1 g/cm3(Predicted)
[vapor pressure ]

0-0Pa at 20-25℃
[storage temp. ]

2-8°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

8.66±0.40(Predicted)
[color ]

Pale Brown to Brown
[LogP]

0.9 at pH6.6
[CAS DataBase Reference]

189956-45-4
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H318
[Precautionary statements ]

P280-P305+P351+P338-P310
[REACH Registrations]

Active
Hazard InformationBack Directory
[Chemical Properties]

Light Brown Solid
[Uses]

4-N[2(4-hydroxypyriMidinyl)]aMinobenzonitrile is used in the preparation of 2-naphthyl substituted diarylpyrimidines (DAPY) analogues.
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