4-Cyano-4'-ethylbiphenyl CAS 58743-75-2
4-Cyano-4'-ethylbiphenyl Basic information
| Product Name: | 4-Cyano-4'-ethylbiphenyl |
| Synonyms: | -ethylbiphenyl;4'-ethyl[1,1'-biphenyl]-4-carbonitrile;4-Ethyl-biphenylcarbonitrile;4-Ethyl-4'-Cyanobiphenyl,2CbC15H9N;Cyano-4'-ethylbiphenyl,-4;4-Cyano-4;4-cyano-4'-ethyl-1,1'-biphenyl;4'-Ethyl-4-biphenylcarbonitrile |
| CAS: | 58743-75-2 |
| MF: | C15H13N |
| MW: | 207.27 |
| EINECS: | 261-414-7 |
| Product Categories: | Biphenyl & Diphenyl ether;Biphenyl derivatives |
| Mol File: | 58743-75-2.mol |
4-Cyano-4'-ethylbiphenyl Chemical Properties
| Melting point | 74-76°C |
| Boiling point | 202-205°C 3mm |
| density | 1.07±0.1 g/cm3(Predicted) |
| Fp | 202-205°C/3mm |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | soluble in Methanol |
| form | powder to crystal |
| color | White to Almost white |
| Water Solubility | insoluble |
| InChI | InChI=1S/C15H13N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h3-10H,2H2,1H3 |
| InChIKey | DLLIPJSMDJCZRF-UHFFFAOYSA-N |
| SMILES | C1(C2=CC=C(CC)C=C2)=CC=C(C#N)C=C1 |
| CAS DataBase Reference | 58743-75-2(CAS DataBase Reference) |
| EPA Substance Registry System | [1,1'-Biphenyl]-4-carbonitrile, 4'-ethyl- (58743-75-2) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 20/21-36/37/38-41-20/21/22 |
| Safety Statements | 26-36/37/39 |
| RIDADR | 3276 |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29269095 |
| Chemical Properties | White crystalline powder |
| Uses | Intermediates of Liquid Crystals |
| Synthesis | 623-00-7 63139-21-9 58743-75-2 GENERAL METHODS: 4-bromobenzonitrile (0.5 mmol), 4-ethylphenylboronic acid (0.75 mmol), Cell-NHC-Pd catalyst (0.75 mol%), K2CO3 (1 mmol), and a solvent mixture of DMF:H2O (1:1, 2.5 mL) were sequentially added to a 25 mL round-bottom flask. Depending on the substrate, the reaction mixture was stirred vigorously at 80 °C for a specific time. Upon completion of the reaction, the solid catalyst was removed by filtration. The filtrate was extracted with ethyl acetate (3 x 5 mL), washed three times sequentially with water and saturated saline, and the organic phase was dried with anhydrous MgSO4. After filtration to remove MgSO4, the solvent was concentrated under reduced pressure to remove the solvent. The crude product was purified by preparative thin layer chromatography (TLC) with the eluent of petroleum ether/ethyl acetate (20:1) to give 4'-ethyl-4-cyanobiphenyl and the yield was calculated. |
| References | [1] Carbohydrate Polymers, 2014, vol. 114, p. 476 - 483 [2] Helvetica Chimica Acta, 2015, vol. 98, # 6, p. 805 - 818 |
4-Cyano-4'-ethylbiphenyl Preparation Products And Raw materials
| Raw materials | N,N-Dimethylformamide-->4-Ethylphenylboronic acid-->Potassium carbonate-->4-Cyanophenol-->4-Bromobenzonitrile |
