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| | 4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid methyl ester Basic information |
| Product Name: | 4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid methyl ester | | Synonyms: | Methyl 4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate;Pemedolac intermediate;2-Amino-4,7-dihydro-5-[2-[4-(methoxycarbonyl)phenyl]ethyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine;PMD;Methyl 4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl);4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid Methyl Ester;Benzoic acid,4-[2-(2-aMino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyriMidin-5-yl)ethyl]-,Methyl ester;4-[2-(2-AMino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyriMidin-5-yl)ethyl]benzoic Acid Methyl Ester | | CAS: | 155405-80-4 | | MF: | C16H16N4O3 | | MW: | 312.32 | | EINECS: | 1806241-263-5 | | Product Categories: | Aromatics;Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals | | Mol File: | 155405-80-4.mol | ![4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid methyl ester Structure](CAS/20180808/GIF/155405-80-4.gif) |
| | 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) | | pka | 11.21±0.20(Predicted) | | form | Solid | | 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 |
| | 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 |
| Description | 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. | | 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 Preparation Products And Raw materials |
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