ChemicalBook--->CAS DataBase List--->1391194-56-1

1391194-56-1

1391194-56-1 Structure

1391194-56-1 Structure
IdentificationBack Directory
[Name]

2-Amino-7-(chloromethyl)pteridin-4(1H)-one
[CAS]

1391194-56-1
[Synonyms]

Folic Acid Impurity 4
2-Amino-7-(chloromethyl)pteridin-4(1H)-one
4(3H)-Pteridinone, 2-amino-7-(chloromethyl)-
Folic Acid Impurity 4(Folic Acid EP Impurity F)
2-Amino-7-(chloromethyl)pteridin-4(1H)-one (90%)
[Molecular Formula]

C7H6ClN5O
[MOL File]

1391194-56-1.mol
[Molecular Weight]

211.61
Chemical PropertiesBack Directory
[Melting point ]

>292°C (dec.)
[Boiling point ]

370.0±44.0 °C(Predicted)
[density ]

1.91±0.1 g/cm3(Predicted)
[storage temp. ]

Hygroscopic, -20°C Freezer, Under inert atmosphere
[solubility ]

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

Solid
[pka]

1.79±0.20(Predicted)
[color ]

Dark Yellow
[Stability:]

Hygroscopic
[InChI]

InChI=1S/C7H6ClN5O/c8-1-3-2-10-4-5(11-3)12-7(9)13-6(4)14/h2H,1H2,(H3,9,11,12,13,14)
[InChIKey]

WHPPYWZHBUBHST-UHFFFAOYSA-N
[SMILES]

N1C2C(=NC=C(CCl)N=2)C(=O)NC=1N
Hazard InformationBack Directory
[Uses]

2-Amino-7-(chloromethyl)pteridin-4(1H)-one is the impurity F of Folic acid (F680300) as per EP monograph.
[Synthesis]

2-Amino-7-(chloromethyl)pteridin-4(1H)-one can be prepared by a condensation reaction between 2,4,5,6-tetraaminopyrimidine sulfate and 1,1,3 trichloroacetone in the presence of an antioxidant.
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