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| | 2-CYANOPHENYLBORONIC ACID, PINACOL ESTER Basic information |
| Product Name: | 2-CYANOPHENYLBORONIC ACID, PINACOL ESTER | | Synonyms: | 2-CYANOPHENYLBORONIC ACID, PINACOL ESTER;2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE;AKOS BRN-1132;2-Cyanobenzeneboronic acid, pinacol ester;2-(2-Cyanophenyl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane;1,1,2,2-Tetramethyldimethylene (2-cyanophenyl)boronate;2-Cyanophenylboronic acid pinacol ester
1,1,2,2-Tetramethyldimethylene (2-cyanophenyl)boronate;2-(2-Cyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (This product is only available in Japan.) | | CAS: | 214360-48-2 | | MF: | C13H16BNO2 | | MW: | 229.08 | | EINECS: | | | Product Categories: | | | Mol File: | 214360-48-2.mol |  |
| | 2-CYANOPHENYLBORONIC ACID, PINACOL ESTER Chemical Properties |
| Melting point | 85-90 °C | | Boiling point | 357.1±25.0 °C(Predicted) | | density | 1.06±0.1 g/cm3(Predicted) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | form | solid | | Appearance | White to off-white Solid | | InChI | InChI=1S/C13H16BNO2/c1-12(2)13(3,4)17-14(16-12)11-8-6-5-7-10(11)9-15/h5-8H,1-4H3 | | InChIKey | SKQNWSBNAIOCOC-UHFFFAOYSA-N | | SMILES | C(#N)C1=CC=CC=C1B1OC(C)(C)C(C)(C)O1 | | CAS DataBase Reference | 214360-48-2(CAS DataBase Reference) |
| Hazard Codes | Xi | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 2931900090 | | Storage Class | 11 - Combustible Solids |
| | 2-CYANOPHENYLBORONIC ACID, PINACOL ESTER Usage And Synthesis |
| Uses | suzuki reaction | | Synthesis | 2-Bromobenzonitrile (20 g, 110 mmol), pinacol ester of bis(boronic acid) (30.4 g, 120 mmol) and potassium acetate (32.4 g, 330 mmol) were degassed with nitrogen in 1,4-dioxane (100 ml) and dimethyl sulfoxide (20 ml) for 30 min. Dichloro[1,1'-bis(diphenylbisphosphino)ferrocene]-palladium(II) dichloromethane adduct (2.00 g, 2.73 mmol) was added and the mixture was heated at 90 C for 18 hours. The mixture was cooled to ambient temperature and partitioned between ether and 2N sodium hydroxide solution. The organic matter was discarded, the aqueous phase was cooled to 0C and the pH was adjusted to 7 by addition of 36% hydrochloric acid. the solid was collected by filtration, washed with water and air-dried to give 2-benzonitrile boronic acid pinacol ester as an off-white solid in a yield of (19 g, 76%). H (360 MHz, CDCl3) 1.39 (12H, s), 7.52-7.57 (2H, m), 7.68- 7.71(1H,m),7.87-7.89(1H,m). |
| | 2-CYANOPHENYLBORONIC ACID, PINACOL ESTER Preparation Products And Raw materials |
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