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| IUPAC Name: | 1-benzyl-3-bromobenzene |
| Description: | 1-Benzyl-3-bromobenzene is used in the synthesis of inhibitors of HIV-1 integrase. It is also used to prepare C-arylglucoside inhibitors of renal sodium-dependent glucose transporter SGLT2. |
| Molecular Weight: | 247.13 |
| Molecular Formula: | C13H11Br |
| Canonical SMILES: | C1=CC=C(C=C1)CC2=CC(=CC=C2)Br |
| InChI: | InChI=1S/C13H11Br/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-8,10H,9H2 |
| InChI Key: | KMBNQIVUWJLMIN-UHFFFAOYSA-N |
| Solubility: | Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly) |
| Appearance: | Clear Colourless Oil |
| Storage: | 4°C |
| References: | Zhuang, L., et al. J. Med. Chem., 46, 453 (2003); Wai, J., et al. J. Med. Chem., 43, 4923 (2000); Ellsworth, B., et al. Bioorg. Med. Chem. Lett., 18, 4770 (2008). |
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