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| IUPAC Name: | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
| Description: | 4-Cyanophenylboronic Acid Pinacol Ester (CAS# 171364-82-2) is used to prepare arylparacyclophanes via Suzuki aryl cross-coupling of bromoparacyclophane with arylboronic acid and arylboronates. It's also used to prepare tyrosine-modified analogs of α4β7 integrin inhibitor biotin-R8ERY. |
| Molecular Weight: | 229.08 |
| Molecular Formula: | C13H16NO2B |
| Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C#N |
| InChI: | InChI=1S/C13H16BNO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11/h5-8H,1-4H3 |
| InChI Key: | HOPDTPGXBZCBNP-UHFFFAOYSA-N |
| Boiling Point: | 345.8 ℃ at 760 mmHg |
| Melting Point: | 95-99 ℃ (lit.) |
| Purity: | 97 % |
| Density: | 1.06 g/cm3 |
| Appearance: | Powder |
| MDL: | MFCD03093897 |
| LogP: | 1.85748 |
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