4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid methyl ester Chemical 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

Safety Information

HS Code 

2933.99.8290

4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid methyl ester Usage And Synthesis

Chemical Properties

Off-White to Pale Pink Solid

Uses

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

4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid methyl ester(155405-80-4)Related Product Information

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