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| IUPAC Name: | methyl 4-(4-oxobutyl)benzoate |
| Description: | 4-(4-Oxobutyl)benzoic Acid Methyl Ester is used as a reagent in the preparation of Pemetrexed (P219500) and furoxanoxyalkyl esters of Pemetrexed as antifolates and nitric oxide donors for use as anticancer agents. |
| Molecular Weight: | 206.24 |
| Molecular Formula: | C12H14O3 |
| Canonical SMILES: | COC(=O)C1=CC=C(C=C1)CCCC=O |
| InChI: | InChI=1S/C12H14O3/c1-15-12(14)11-7-5-10(6-8-11)4-2-3-9-13/h5-9H,2-4H2,1H3 |
| InChI Key: | PKKOQVAJFXOJOA-UHFFFAOYSA-N |
| Solubility: | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| Appearance: | Clear Colourless Oil |
| Storage: | 4°C, Hygroscopic |
| References: | Zhao, D., et al. Zhongguo Yaowu Huaxue Zazhi, 18, 445 (2008); Yi, B., et al. Zhongguo Yiyao Gongye Zazhi, 37, 798 (2006); Min, T., et al. Med. Chem. Res., 18, 495 (2009). |
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