Introduction：Basic information about 4'-Methyl-2-cyanobiphenyl CAS 114772-53-1, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
4'-Methyl-2-cyanobiphenyl Basic information
| Product Name: | 4'-Methyl-2-cyanobiphenyl |
| Synonyms: | methyl diphenyl;2-cyanogen radical-4'-methyl biphenyl;2-[(4-methyl)pentyl]-benzonitrile;OTBN;4'-Methyl-2-Cyano Diphenyl;AKOS BAR-1203;4'-METHYL-2-BIPHENYLCARBONITRILE;4'-METHYL[1,1'-BIPHENYL]-2-CARBONITRILE |
| CAS: | 114772-53-1 |
| MF: | C14H11N |
| MW: | 193.24 |
| EINECS: | 422-310-9 |
| Product Categories: | Biphenyl & Diphenyl ether;(intermediate of telmisartan);(intermediate of sartan);(intermediate of sartan s product);Losartan Potassium;Biphenyl derivatives;INTERMEDIATESOF;Starting Raw Materials & Intermediates;cyanide;Hypertension;Building block;Liquid Crystals;Organic Electronics and Photonics;Chiral Compound;114772-53-1 |
| Mol File: | 114772-53-1.mol |
|
4'-Methyl-2-cyanobiphenyl Chemical Properties
| Melting point | 49 °C |
| Boiling point | >320°C |
| density | 1,17 g/cm3 |
| vapor pressure | 0.014Pa at 20℃ |
| Fp | >320°C |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Crystalline Powder |
| color | Off-white to beige |
| BRN | 3605954 |
| InChI | InChI=1S/C14H11N/c1-11-6-8-12(9-7-11)14-5-3-2-4-13(14)10-15/h2-9H,1H3 |
| InChIKey | ZGQVZLSNEBEHFN-UHFFFAOYSA-N |
| SMILES | C1(C2=CC=C(C)C=C2)=CC=CC=C1C#N |
| LogP | 3.5 at 23℃ |
| CAS DataBase Reference | 114772-53-1(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzonitrile, 2-(4-methylphenyl)-(114772-53-1) |
Safety Information
| Hazard Codes | Xn,Xi |
| Risk Statements | 20/21/22-36/37/38-48/25/62/51/53-22 |
| Safety Statements | 22-26-36/37/39-36/37/45/57-20-36 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HS Code | 27075000 |
| Storage Class | 11 - Combustible Solids |
4'-Methyl-2-cyanobiphenyl Usage And Synthesis
| Chemical Properties | White crystalline powder |
| Uses | 4'-Methylbiphenyl-2-carbonitrile is an intermediate in the synthesis of glycogen synthase kinase-3 inhibitors with a selective sting for glycogen synthase kinase 3α. |
| Synthesis | 4'-Methyl-2-cyanobiphenyl is prepared by the reaction of o-cyanobromobenzene and potassium (4-methylphenyl)trifluoroborate. The specific synthesis steps are as follows:
General procedure: A mixture of aryl halide (0.5 mmol), potassium aryltrifluoroborate (0.6 mmol), K2CO3 (1.0 mmol), Pd/C (5%; 0.5 mol%), ethanol (3 mL), and distilled water (1 mL) was stirred at 80 °C in air for the time indicated.The reaction mixture was added to brine (15 mL) and extracted with ethyl acetate (4×15 mL).The organic solvent was removed under vacuum, and the product was isolated by short-column chromatography.
|
4'-Methyl-2-cyanobiphenyl Preparation Products And Raw materials
| Raw materials | POTASSIUM 4-METHYLPHENYLTRIFLUOROBORATE-->2-Bromobenzonitrile |
| Preparation Products | 5-[4'-(Bromomethyl)-[1,1'-biphenyl]-2-yl]-2-(triphenylmethyl)-2H-tetrazole-->4’-[(2-butyl-4-chloro-5-hydroxymethyl)-1H-imidazol-1-yl)methyl]-[1,1’-Biphenyl]-2-carbonitrile |
