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| IUPAC Name: | 2-(7-methoxynaphthalen-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane |
| Description: | 2-(7-Methoxy-2-naphthalenyl)-5,5-dimethyl-1,3,2-dioxaborinane is an intermediate in the synthesis of metabolites of Benzo[a]pyrene, a carcinogenic component of tobacco smoke implicated in lung cancer. |
| Molecular Weight: | 270.13 |
| Molecular Formula: | C16H19BO3 |
| Canonical SMILES: | B1(OCC(CO1)(C)C)C2=CC3=C(C=C2)C=CC(=C3)OC |
| InChI: | InChI=1S/C16H19BO3/c1-16(2)10-19-17(20-11-16)14-6-4-12-5-7-15(18-3)9-13(12)8-14/h4-9H,10-11H2,1-3H3 |
| InChI Key: | XMSOZOTVONQXKZ-UHFFFAOYSA-N |
| Solubility: | Chloroform, DCM |
| Appearance: | Yellow Colour Semi-Solid |
| References: | Wu, A., et al. Tetrahedron., 68, 7217 (2012). |
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