4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE
Synonym(s):4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
- CAS NO.：171364-82-2
- Empirical Formula: C13H16BNO2
- Molecular Weight: 229.08
- MDL number: MFCD03093897
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-05-11 17:26:00
What is 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE?
Chemical properties
light yellow to orange or light tan crystalline powde
The Uses of 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE
4-(Cyanophenyl)boronic Acid Pinacol Ester 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.
Synthesis Reference(s)
The Journal of Organic Chemistry, 60, p. 7508, 1995 DOI: 10.1021/jo00128a024
Properties of 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE
| Melting point: | 95-99 °C(lit.) |
| Boiling point: | 345.8±25.0 °C(Predicted) |
| Density | 1.06±0.1 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Crystalline Powder |
| color | Light yellow to orange or light tan |
| CAS DataBase Reference | 171364-82-2(CAS DataBase Reference) |
Safety information for 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE
| Signal word | Warning |
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE
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