3-Dimethylamino-1-(3-pyridyl)-2-propen-1-one , 97% , 55314-16-4

CAS NO.：55314-16-4

Empirical Formula: C10H12N2O

Molecular Weight: 176.22

MDL number: MFCD00115180

EINECS: 1533716-785-6

PRODUCT Properties

• Melting point: 86-88
• Boiling point: 281.4±36.0 °C(Predicted)
• Density: 1.070±0.06 g/cm3(Predicted)
• vapor pressure: 0.049Pa at 20℃
• storage temp.: Inert atmosphere,Room Temperature
• solubility: Soluble in chloroform and dichloromethane.
• form: powder to crystal
• pka: 6.19±0.70(Predicted)
• color: Light yellow to Brown
• InChI: InChI=1S/C10H12N2O/c1-12(2)7-5-10(13)9-4-3-6-11-8-9/h3-8H,1-2H3
• InChIKey: MZLRFUCMBQWLNV-FNORWQNLSA-N
• SMILES: C(C1=CC=CN=C1)(=O)C=CN(C)C
• LogP: 0.26 at 20℃ and pH7.2
• Surface tension: 71.8mN/m at 1.008g/L and 20℃
• CAS DataBase Reference: 55314-16-4(CAS DataBase Reference)

Description and Uses

1-(3-Pyridyl)-3-(dimethylamino)-2-propen-1-one can be used in the synthesis of imatinib and nilotinib (AMN107), a compound currently in multiple Phase II/III clinical trials for chronic granulocytic leukaemia. Imatinib, on the other hand, is a cancer growth blocker known as a tyrosine kinase inhibitor (TKI), which is used to treat a wide range of leukaemias, myelodysplastic/myeloproliferative disorders, systemic mastocytosis, eosinophilia syndromes, raised dermal fibrosarcoma and gastrointestinal mesenchymal tumours.

3-Dimethylamino-1-(3-pyridyl)-2-propen-1-one is used ads pharmaceutical intermediate, an imatinib intermediate.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
• Hazard Codes: Xi,Xn
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37/39
• HazardClass: IRRITANT
• HS Code: 29333990