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| | 4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pymol[2,3-d]pyrimodin-5-yl)ethyl]benzoic acid Basic information |
| Product Name: | 4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pymol[2,3-d]pyrimodin-5-yl)ethyl]benzoic acid | | Synonyms: | 4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo(2,3-d)pyrimidin-5-yl)ethyl)benzoic acid (intermediate of pemetrexed);4-[2-(2-AMINO-4,7-DIHYDRO-4-OXO-1H-PYMOL[2,3-D]PYRIMODIN-5-YL)ETHYL]BENZOIC ACID;4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]-Benzoic Acid;4-[2-（2-Amino-4-oxo-4,7- Dihydro-3H-pyrrolo[2,3-d]pyrimidine -5-yl）ethyl]benzoic acid;Pemetrexed reference substance;Benzoic acid, 4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]- (9CI);Pemetrexed Intermediate Benzoic Acid;Pemetrexed acid intermediate | | CAS: | 137281-39-1 | | MF: | C15H14N4O3 | | MW: | 298.3 | | EINECS: | 429-790-9 | | Product Categories: | Intermediates;Intermediates & Fine Chemicals;Pharmaceuticals;Organic acids;PEMETREXED DISODIUM;(intermediate of pemetrexed);Various Intermediates | | Mol File: | 137281-39-1.mol | ![4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pymol[2,3-d]pyrimodin-5-yl)ethyl]benzoic acid Structure](CAS/GIF/137281-39-1.gif) |
| | 4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pymol[2,3-d]pyrimodin-5-yl)ethyl]benzoic acid Chemical Properties |
| Melting point | >270°C (dec.) | | density | 1.55±0.1 g/cm3(Predicted) | | storage temp. | Keep in dark place,Inert atmosphere,Room temperature | | solubility | DMSO (Slightly), Methanol (Slightly, Heated) | | form | Solid | | pka | 4.30±0.10(Predicted) | | color | White to Pale Pink | | InChI | InChI=1S/C15H14N4O3/c16-15-18-12-11(13(20)19-15)10(7-17-12)6-3-8-1-4-9(5-2-8)14(21)22/h1-2,4-5,7H,3,6H2,(H,21,22)(H4,16,17,18,19,20) | | InChIKey | AIZPFZIKHIJCQX-UHFFFAOYSA-N | | SMILES | C(O)(=O)C1=CC=C(CCC2C3C(=O)NC(N)=NC=3NC=2)C=C1 | | CAS DataBase Reference | 137281-39-1(CAS DataBase Reference) |
| | 4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pymol[2,3-d]pyrimodin-5-yl)ethyl]benzoic acid Usage And Synthesis |
| Description | 4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pymol[2,3-d]pyrimodin-5-yl)ethyl]benzoic acid, as key intermediates of pemetrexed disodium, is used in the synthesis of antitumor drugs and is also an important chemical building block in drug development and analysis. Pemetrexed disodium is a multi-target antifolate metabolism antitumor drug, clinically used to treat diseases such as non-small cell lung cancer and malignant pleural mesothelioma. | | Chemical Properties | Pale Pink Solid | | Uses | Pemetrexed intermediate | | Synthesis | Methyl 4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate was obtained from the dehydration condensation of its corresponding 2,4-diamino-6-hydroxypyrimidine and corresponding 2-bromoaldehyde under certain conditions, and the ester product obtained was hydrolyzed to carboxylic acid under alkaline conditions to obtain 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3]pyrimidin-5-yl)ethyl]benzoic acid. 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3]pyrimidin-5-yl)ethyl]benzoic acid. |
| | 4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pymol[2,3-d]pyrimodin-5-yl)ethyl]benzoic acid Preparation Products And Raw materials |
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