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| IUPAC Name: | methyl 3-iodo-4-methylbenzoate |
| Description: | Methyl 3-Iodo-4-methylbenzoate (CAS# 90347-66-3) is used as a reagent in the synthesis of [(pyrazolo[1,5-a]pyridmidinyl)ethynyl]benzamides as selective discoidin domain receptor 1 (DDR1) inhibitors. Also used as a reagent in the preparation of orally bioavailable GZD824 targeting Breakpoint Cluster Region-Abelson (Bcr-Abl) kinase and overcoming antitumor drug resistance. |
| Molecular Weight: | 276.07 |
| Molecular Formula: | C9H9IO2 |
| Canonical SMILES: | CC1=C(C=C(C=C1)C(=O)OC)I |
| InChI: | InChI=1S/C9H9IO2/c1-6-3-4-7(5-8(6)10)9(11)12-2/h3-5H,1-2H3 |
| InChI Key: | NKMHAOTZPFVSPC-UHFFFAOYSA-N |
| Boiling Point: | 302.9 °C at 760 mmHg |
| Density: | 1.666 g/cm3 |
| MDL: | MFCD00230583 |
| LogP: | 2.38620 |
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