ChemicalBook--->CAS DataBase List--->917392-54-2

917392-54-2

917392-54-2 Structure

917392-54-2 Structure
IdentificationBack Directory
[Name]

4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid methyl ester
[CAS]

917392-54-2
[Synonyms]

NILOTINIB EP IMPURITY G
methyl 4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]benzoate
Methyl 4-Methyl-3-((4-(pyridin-3-yl)pyriMidin-2-yl)aMino)benzoate
4-Methyl-3-(4-pyridin-3-yl-pyriMidin-2-ylaMino)-benzoic acid Methyl ester
4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid methyl ester
Benzoicacid, 4-Methyl-3-[[4-(3-pyridinyl)-2-pyriMidinyl]aMino]-, Methyl ester
Methyl 4-Methyl-3-((4-(pyridin-3-yl)pyriMidin-2-yl)aMino)benzoate, Methyl 4-Methyl-3-(4-(pyridin-3-yl)pyriMidin-2-ylaMino)benzoate
[Molecular Formula]

C18H16N4O2
[MDL Number]

MFCD16619370
[MOL File]

917392-54-2.mol
[Molecular Weight]

320.35
Chemical PropertiesBack Directory
[Melting point ]

148 - 150°C
[Boiling point ]

538.6±60.0 °C(Predicted)
[density ]

1.258
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

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

Solid
[pka]

2.70±0.12(Predicted)
[color ]

Pale Yellow to Light Beige
[InChI]

InChI=1S/C18H16N4O2/c1-12-5-6-13(17(23)24-2)10-16(12)22-18-20-9-7-15(21-18)14-4-3-8-19-11-14/h3-11H,1-2H3,(H,20,21,22)
[InChIKey]

BECBKQYLJDEVDN-UHFFFAOYSA-N
[SMILES]

C(OC)(=O)C1=CC=C(C)C(NC2=NC=CC(C3=CC=CN=C3)=N2)=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P280-P301+P312-P304+P340
[REACH Registrations]

Active
[HS Code ]

2916399090
Hazard InformationBack Directory
[Uses]

Methyl 4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]benzoate is an intermediate used in the synthesis of 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzamide (M326838), which is an impurity of Nilotinib (N465300), a possible agent in the treatment of chronic myelogenous leukemia.
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