Introduction：Basic information about 4-(1-Phenyl-1H-benzimidazol-2-yl)phenylboronic acid CAS 952514-79-3, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
4-(1-Phenyl-1H-benzimidazol-2-yl)phenylboronic acid Basic information
| Product Name: | 4-(1-Phenyl-1H-benzimidazol-2-yl)phenylboronic acid |
| Synonyms: | Boronic acid, B-[4-(1-phenyl-1H-benzimidazol-2-yl)phenyl]-;1-phenyl-2-(phenyl-4-boronic acid)-benzimidazole;[4-(1-phenylbenzimidazol-2-yl)phenyl]boronic acid;B-[4-(1-Phenyl-1H-benzimidazol-2-yl)phenyl]boronic acid;B(OH)2 4-(1-Phenyl-1H-benziMidazol -2-yl)phenylboronic acid;[3-(1-phenyl-1H-benziMidazol-2-yl)phenyl]Boronic acid;4-(1-Phenyl-1H-benzimidazol-2-yl)phenylboronic acid;4-(1-phenyl-1H-benzo[d]iMidazol-2-yl)phenylboronic acid(PBIB) |
| CAS: | 952514-79-3 |
| MF: | C19H15BN2O2 |
| MW: | 314.15 |
| EINECS: | |
| Product Categories: | Electronic Chemicals;OLED materials,pharm chemical,electronic |
| Mol File: | 952514-79-3.mol |
|
4-(1-Phenyl-1H-benzimidazol-2-yl)phenylboronic acid Chemical Properties
| Boiling point | 572.6±60.0 °C(Predicted) |
| density | 1.21±0.1 g/cm3(Predicted) |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| solubility | soluble in Methanol |
| form | powder to crystal |
| pka | 8.47±0.17(Predicted) |
| color | White to Light yellow to Light orange |
| InChI | InChI=1S/C19H15BN2O2/c23-20(24)15-12-10-14(11-13-15)19-21-17-8-4-5-9-18(17)22(19)16-6-2-1-3-7-16/h1-13,23-24H |
| InChIKey | PBSIVXAPTBHFFV-UHFFFAOYSA-N |
| SMILES | B(C1=CC=C(C2N(C3=CC=CC=C3)C3=CC=CC=C3N=2)C=C1)(O)O |
Safety Information
4-(1-Phenyl-1H-benzimidazol-2-yl)phenylboronic acid Usage And Synthesis
| Chemical Properties | White to off-white powder |
| Synthesis | The 7g 2 - (4-bromophenyl) - 1-phenyl-benzimidazole (0.02mole) adding 150mlTHF in, lower the temperature to -78 °C, at -78 ° C dropping under 12 ml (2.5M/L, 0 . 03mole) n-BuLi, thermal insulation 30 minutes, dropping 4.26g (0.041mole) methyl borate, reaction 2 hours after the reaction end of the water in the reaction solution of 50 ml, stirring 20 minutes, hydrochloric acid to adjust pH value to acidity, stirring 30 minutes, the reaction solution with ethyl acetate extraction three times, washing time combined with the organic layer, the organic phase is separated, turns on lathe does, solid with petroleum ether heat two times, filtering, to obtain solid intermediates kind of white 4-(1-Phenyl-1H-benzimidazol-2-yl)phenylboronic acid, yield 65percent. |
| References | [1] Patent: CN104073249, 2016, B. Location in patent: Paragraph 0065; 0073; 0074
[2] Journal of Materials Chemistry C, 2014, vol. 2, # 46, p. 9858 - 9865 |
4-(1-Phenyl-1H-benzimidazol-2-yl)phenylboronic acid Preparation Products And Raw materials
| Raw materials | 2-(4-Bromophenyl)-1-phenyl-1H-benzoimidazole-->Triisopropyl borate-->Trimethyl borate-->Water-->Tetrahydrofuran-->Hexane-->n-Butyllithium |
| Preparation Products | 9-Phenyl-3-[4-(1-phenyl-1H-benzimidazol-2-yl)phenyl]-9H-carbazole |
