3-(9H-Carbazol-9-yl)phenylboronic acid CAS 864377-33-3
Introduction：Basic information about 3-(9H-Carbazol-9-yl)phenylboronic acid CAS 864377-33-3, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
3-(9H-Carbazol-9-yl)phenylboronic acid Basic information
| Product Name: | 3-(9H-Carbazol-9-yl)phenylboronic acid |
| Synonyms: | 3-(9H-Carbazol-9-yl)phenylboronic acid;3-(9H-carbazole-9-yl)phenylboronic acid;3-(9H-Carbazol-9-yl)phenylboromic acid;Boronic acid, [3-(9H-carbazol-9-yl)phenyl]-;3-(9-Carbazolyl)benzeneboronic acid, 98%;3-(9H-carbazol-9-yl)phenylboronic acid(3CPBA);Boronic acid,B-[3-(9H-carbazol-9-yl)phenyl]-;3-(9H-Carbazol-9-yl)phenylboronic Acid (contains varying amounts of Anhydride) |
| CAS: | 864377-33-3 |
| MF: | C18H14BNO2 |
| MW: | 287.12 |
| EINECS: | |
| Product Categories: | OLED materials,pharm chemical,electronic;OLED |
| Mol File: | 864377-33-3.mol |
3-(9H-Carbazol-9-yl)phenylboronic acid Chemical Properties
| Boiling point | 472.6±51.0 °C(Predicted) |
| density | 1.20 |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| form | Powder |
| pka | 8.30±0.10(Predicted) |
| color | Off-white |
| InChI | InChI=1S/C18H14BNO2/c21-19(22)13-6-5-7-14(12-13)20-17-10-3-1-8-15(17)16-9-2-4-11-18(16)20/h1-12,21-22H |
| InChIKey | IDQUIFLAFFZYEX-UHFFFAOYSA-N |
| SMILES | B(C1=CC=CC(N2C3=C(C=CC=C3)C3=C2C=CC=C3)=C1)(O)O |
Safety Information
| HS Code | 2933998090 |
| Chemical Properties | off-white solid |
| Uses | suzuki reaction |
| Synthesis | 185112-61-2 121-43-7 864377-33-3 General procedure for the synthesis of 3-(9H-carbazol-9-yl)phenylboronic acid from 9-(3-bromophenyl)-9H-carbazole and trimethyl borate: (2) Dissolve 4.00 g of 9-(3-bromophenyl)-9H-carbazole in dry 50 mL of THF, and cool to -78 °C. 6mL (2.4M) of n-butyllithium solution was slowly added and reacted for 1 hour. Subsequently, 1.8 mL of trimethyl borate was added and the reaction continued for 2 hours. The reaction mixture was warmed to room temperature and stirred overnight. After cooling to 0°C, 40 mL of 2.0 M HCl was added for hydrolysis. The reaction mixture was extracted with dichloromethane and the solvent was evaporated to give 2.96 g of 3-(9H-carbazol-9-yl)phenylboronic acid in 83% yield. |
| References | [1] Patent: CN103588770, 2016, B. Location in patent: Paragraph 0047 [2] Patent: CN107686484, 2018, A. Location in patent: Paragraph 0129-0132 [3] Patent: WO2013/12298, 2013, A1. Location in patent: Paragraph 103-104 |
3-(9H-Carbazol-9-yl)phenylboronic acid Preparation Products And Raw materials
| Raw materials | 9-(3-bromophenyl)carbazole-->1-Bromo-3-iodobenzene-->Water-->Carbazole-->Tetrahydrofuran-->Boric acid-->n-Butyllithium-->1,3-Dibromobenzene-->Triethyl borate-->Trimethyl borate |
| Preparation Products | 9-[4'-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)[1,1'-BIPHENYL]-3-YL]-9H-CARBAZOLE-->9-[3-(Dibenzo[b,d]furan-2-yl)phenyl]-9H-carbazole |
