Methyl 4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoate , 97% , 155405-80-4

CAS NO.：155405-80-4

Empirical Formula: C16H16N4O3

Molecular Weight: 312.32

MDL number: MFCD17976681

EINECS: 1806241-263-5

PRODUCT Properties

• Melting point: >220 °C
• Density: 1.44
• storage temp.: Keep in dark place,Inert atmosphere,Room temperature
• solubility: DMSO (Slightly), Methanol (Very Slightly, Heated)
• form: Solid
• pka: 11.21±0.20(Predicted)
• color: Off-White to Pale Beige
• InChI: InChI=1S/C16H16N4O3/c1-23-15(22)10-5-2-9(3-6-10)4-7-11-8-18-13-12(11)14(21)20-16(17)19-13/h2-3,5-6,8H,4,7H2,1H3,(H4,17,18,19,20,21)
• InChIKey: GDEKSBCRJKAARB-UHFFFAOYSA-N
• SMILES: C(OC)(=O)C1=CC=C(CCC2C3C(=O)NC(N)=NC=3NC=2)C=C1

Description and Uses

4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid methyl ester is a key intermediate in the synthesis of pemetrexed disodium and can be used for drug impurity research and analysis.

An intermediate in the preparation of Pemetrexed Disodium (P219500) and its derivatives as anticancer agents.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319
• Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
• HS Code: 2933.99.8290