| Identification | More | [Name]
4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pymol[2,3-d]pyrimodin-5-yl)ethyl]benzoic acid | [CAS]
137281-39-1 | [Synonyms]
4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid
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 | [EINECS(EC#)]
429-790-9 | [Molecular Formula]
C15H14N4O3 | [MDL Number]
29335990 | [Molecular Weight]
298.297 | [MOL File]
137281-39-1.mol | [References]
Musa, Klefah A. K., and L. A. Eriksson. "Theoretical assessment of naphazoline redoxchemistry and photochemistry. " Journal of Physical Chemistry B 111.15(2007):3977-81.
Podder, A., J. K. Dattagupta, and N. N. Saha. "The crystal and molecular structure of an α-adrenergic agonist – naphazoline hydrochloride."Acta Crystallographica37.a1(2001):C70-C70.
https://www.drugbank.ca/drugs/DB06711
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| Chemical Properties | Back Directory | [Appearance]
Pale Pink Solid | [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 | [Usage]
Pemetrexed intermediate | [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) |
| Hazard Information | Back Directory | [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 e |
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