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| IUPAC Name: | benzyl 4-phenylbutanoate |
| Description: | Benzyl 4-Phenylbutanoate is an intermediate in the synthesis of Namino-{3-[(R)-1-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-propionyl} Ibrutinib (A619015), which is an impurity of Ibrutinib (I124970), a highly selective Bruton's tyrosine kinase (Btk) irreversible inhibitor. |
| Molecular Weight: | 254.32 |
| Molecular Formula: | C17H18O2 |
| Canonical SMILES: | C1=CC=C(C=C1)CCCC(=O)OCC2=CC=CC=C2 |
| InChI: | InChI=1S/C17H18O2/c18-17(19-14-16-10-5-2-6-11-16)13-7-12-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2 |
| InChI Key: | CNUZXGDIRMXKJV-UHFFFAOYSA-N |
| Solubility: | Dichloromethane, Ether, Ethyl Acetate |
| Appearance: | Clear Oil |
| References: | MacGlashan, D., et. al. Int. Immunol., 11, 475 (2011). |
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